data_G1 _cell_length_a 2.51821 _cell_length_b 5.54651 _cell_length_c 8.63194 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G1 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.26639 0.65434 Biso 1.000 C C2 1.0000 0.00000 0.13792 0.71892 Biso 1.000 C C3 1.0000 0.50000 0.35290 0.48133 Biso 1.000 C C4 1.0000 0.50000 0.64710 0.48133 Biso 1.000 C C5 1.0000 0.50000 0.00000 0.24575 Biso 1.000 C C6 1.0000 0.00000 0.86208 0.71892 Biso 1.000 C C7 1.0000 0.00000 0.00000 0.34630 Biso 1.000 C C8 1.0000 0.50000 0.73361 0.65434 Biso 1.000 C C9 1.0000 0.00000 0.26632 0.39693 Biso 1.000 C C10 1.0000 0.00000 0.73368 0.39693 Biso 1.000 C C11 1.0000 0.50000 0.76639 0.15434 Biso 1.000 C C12 1.0000 0.00000 0.63792 0.21892 Biso 1.000 C C13 1.0000 0.50000 0.85290 0.98133 Biso 1.000 C C14 1.0000 0.50000 0.14710 0.98133 Biso 1.000 C C15 1.0000 0.50000 0.50000 0.74575 Biso 1.000 C C16 1.0000 0.00000 0.36208 0.21892 Biso 1.000 C C17 1.0000 0.00000 0.50000 0.84630 Biso 1.000 C C18 1.0000 0.50000 0.23361 0.15434 Biso 1.000 C C19 1.0000 0.00000 0.76632 0.89693 Biso 1.000 C C20 1.0000 0.00000 0.23368 0.89693 Biso 1.000 C data_G2 _cell_length_a 3.77913 _cell_length_b 7.7873 _cell_length_c 2.51298 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G2 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.05553 0.75000 Biso 1.000 C C2 1.0000 0.79551 0.80490 0.25000 Biso 1.000 C C3 1.0000 0.70449 0.69510 0.75000 Biso 1.000 C C4 1.0000 0.20449 0.80490 0.25000 Biso 1.000 C C5 1.0000 0.29551 0.69510 0.75000 Biso 1.000 C C6 1.0000 0.50000 0.94447 0.25000 Biso 1.000 C C7 1.0000 -0.00000 0.55553 0.75000 Biso 1.000 C C8 1.0000 0.29551 0.30490 0.25000 Biso 1.000 C C9 1.0000 0.20449 0.19510 0.75000 Biso 1.000 C C10 1.0000 0.70449 0.30490 0.25000 Biso 1.000 C C11 1.0000 0.79551 0.19510 0.75000 Biso 1.000 C C12 1.0000 0.00000 0.44447 0.25000 Biso 1.000 C data_G3 _cell_length_a 9.18786 _cell_length_b 2.52322 _cell_length_c 4.14617 _cell_angle_alpha 90 _cell_angle_beta 97.032 _cell_angle_gamma 90 _chemical_formula_sum G3 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.27132 0.50000 0.91464 Biso 1.000 C C2 1.0000 0.05821 -0.00000 0.15365 Biso 1.000 C C3 1.0000 0.94179 0.00000 0.84635 Biso 1.000 C C4 1.0000 0.94270 0.50000 0.62043 Biso 1.000 C C5 1.0000 0.21434 0.50000 0.55926 Biso 1.000 C C6 1.0000 0.22868 -0.00000 0.08536 Biso 1.000 C C7 1.0000 0.05730 0.50000 0.37957 Biso 1.000 C C8 1.0000 0.28566 0.00000 0.44074 Biso 1.000 C C9 1.0000 0.77132 0.00000 0.91464 Biso 1.000 C C10 1.0000 0.55821 0.50000 0.15365 Biso 1.000 C C11 1.0000 0.44179 0.50000 0.84635 Biso 1.000 C C12 1.0000 0.44270 0.00000 0.62043 Biso 1.000 C C13 1.0000 0.71434 -0.00000 0.55926 Biso 1.000 C C14 1.0000 0.72868 0.50000 0.08536 Biso 1.000 C C15 1.0000 0.55730 0.00000 0.37957 Biso 1.000 C C16 1.0000 0.78566 0.50000 0.44074 Biso 1.000 C data_G4 _cell_length_a 2.47175 _cell_length_b 6.06686 _cell_length_c 2.46957 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G4 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00000 0.00000 0.00000 Biso 1.000 C C2 1.0000 0.00000 0.18153 0.50000 Biso 1.000 C C3 1.0000 0.50000 0.31847 0.50000 Biso 1.000 C C4 1.0000 0.50000 0.50000 0.00000 Biso 1.000 C C5 1.0000 0.50000 0.68153 0.50000 Biso 1.000 C C6 1.0000 0.00000 0.81847 0.50000 Biso 1.000 C data_G5 _cell_length_a 3.45338 _cell_length_b 3.45338 _cell_length_c 12.5933 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G5 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.15578 0.66830 0.06689 Biso 1.000 C C2 1.0000 0.84422 0.33170 0.06689 Biso 1.000 C C3 1.0000 0.50000 0.50000 0.00000 Biso 1.000 C C4 1.0000 0.33170 0.15578 0.93311 Biso 1.000 C C5 1.0000 0.66830 0.84422 0.93311 Biso 1.000 C C6 1.0000 0.83170 0.84422 0.81689 Biso 1.000 C C7 1.0000 0.00000 0.50000 0.75000 Biso 1.000 C C8 1.0000 0.65578 0.33170 0.68311 Biso 1.000 C C9 1.0000 0.16830 0.15578 0.81689 Biso 1.000 C C10 1.0000 0.34422 0.66830 0.68311 Biso 1.000 C C11 1.0000 -0.00000 0.00000 -0.00000 Biso 1.000 C C12 1.0000 0.50000 0.00000 0.75000 Biso 1.000 C C13 1.0000 0.65578 0.16830 0.56689 Biso 1.000 C C14 1.0000 0.34422 0.83170 0.56689 Biso 1.000 C C15 1.0000 -0.00000 0.00000 0.50000 Biso 1.000 C C16 1.0000 0.83170 0.65578 0.43311 Biso 1.000 C C17 1.0000 0.16830 0.34422 0.43311 Biso 1.000 C C18 1.0000 0.33170 0.34422 0.31689 Biso 1.000 C C19 1.0000 0.50000 0.00000 0.25000 Biso 1.000 C C20 1.0000 0.15578 0.83170 0.18311 Biso 1.000 C C21 1.0000 0.66830 0.65578 0.31689 Biso 1.000 C C22 1.0000 0.84422 0.16830 0.18311 Biso 1.000 C C23 1.0000 0.50000 0.50000 0.50000 Biso 1.000 C C24 1.0000 0.00000 0.50000 0.25000 Biso 1.000 C data_G6 _cell_length_a 2.51431 _cell_length_b 10.9893 _cell_length_c 4.3303 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G6 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.00000 0.59301 Biso 1.000 C C2 1.0000 0.50000 0.83129 0.07104 Biso 1.000 C C3 1.0000 -0.00000 0.63326 0.22798 Biso 1.000 C C4 1.0000 0.50000 0.68867 0.07188 Biso 1.000 C C5 1.0000 -0.00000 0.87166 0.24567 Biso 1.000 C C6 1.0000 0.50000 0.62834 0.74567 Biso 1.000 C C7 1.0000 -0.00000 0.81133 0.57188 Biso 1.000 C C8 1.0000 0.50000 0.86674 0.72798 Biso 1.000 C C9 1.0000 0.00000 0.00000 0.38026 Biso 1.000 C C10 1.0000 0.00000 0.66871 0.57104 Biso 1.000 C C11 1.0000 0.00000 0.50000 0.09301 Biso 1.000 C C12 1.0000 0.00000 0.33129 0.57104 Biso 1.000 C C13 1.0000 0.50000 0.13326 0.72798 Biso 1.000 C C14 1.0000 -0.00000 0.18867 0.57188 Biso 1.000 C C15 1.0000 0.50000 0.37166 0.74567 Biso 1.000 C C16 1.0000 -0.00000 0.12834 0.24567 Biso 1.000 C C17 1.0000 0.50000 0.31133 0.07188 Biso 1.000 C C18 1.0000 -0.00000 0.36674 0.22798 Biso 1.000 C C19 1.0000 0.50000 0.50000 0.88026 Biso 1.000 C C20 1.0000 0.50000 0.16871 0.07104 Biso 1.000 C data_G7 _cell_length_a 12.9737 _cell_length_b 2.49946 _cell_length_c 4.26896 _cell_angle_alpha 90 _cell_angle_beta 96.9905 _cell_angle_gamma 90 _chemical_formula_sum G7 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.05673 0.08484 0.95673 Biso 1.000 C C2 1.0000 0.77219 0.37737 0.42637 Biso 1.000 C C3 1.0000 0.11128 0.50609 0.47460 Biso 1.000 C C4 1.0000 0.88781 0.59689 0.89357 Biso 1.000 C C5 1.0000 0.88872 0.50609 0.52540 Biso 1.000 C C6 1.0000 0.94327 0.08484 0.04327 Biso 1.000 C C7 1.0000 0.23213 0.73745 0.08276 Biso 1.000 C C8 1.0000 0.11219 0.59689 0.10643 Biso 1.000 C C9 1.0000 0.05641 0.01848 0.58458 Biso 1.000 C C10 1.0000 0.94359 0.01848 0.41542 Biso 1.000 C C11 1.0000 0.76787 0.73745 0.91724 Biso 1.000 C C12 1.0000 0.22781 0.37737 0.57363 Biso 1.000 C C13 1.0000 0.55673 0.58484 0.95673 Biso 1.000 C C14 1.0000 0.27219 0.87737 0.42637 Biso 1.000 C C15 1.0000 0.61128 0.00609 0.47460 Biso 1.000 C C16 1.0000 0.38781 0.09689 0.89357 Biso 1.000 C C17 1.0000 0.38872 0.00609 0.52540 Biso 1.000 C C18 1.0000 0.44327 0.58484 0.04327 Biso 1.000 C C19 1.0000 0.73213 0.23745 0.08276 Biso 1.000 C C20 1.0000 0.61219 0.09689 0.10643 Biso 1.000 C C21 1.0000 0.55641 0.51848 0.58458 Biso 1.000 C C22 1.0000 0.44359 0.51848 0.41542 Biso 1.000 C C23 1.0000 0.26787 0.23745 0.91724 Biso 1.000 C C24 1.0000 0.72781 0.87737 0.57363 Biso 1.000 C data_G8 _cell_length_a 2.52284 _cell_length_b 6.61197 _cell_length_c 4.21984 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G8 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.91955 0.64629 Biso 1.000 C C2 1.0000 0.50000 0.69254 0.77032 Biso 1.000 C C3 1.0000 0.50000 0.63654 0.11822 Biso 1.000 C C4 1.0000 0.00000 0.60083 0.61817 Biso 1.000 C C5 1.0000 0.50000 0.29764 0.79617 Biso 1.000 C C6 1.0000 0.00000 0.08045 0.14629 Biso 1.000 C C7 1.0000 0.00000 0.70236 0.29617 Biso 1.000 C C8 1.0000 0.00000 0.36346 0.61822 Biso 1.000 C C9 1.0000 0.50000 0.39917 0.11817 Biso 1.000 C C10 1.0000 0.00000 0.92320 0.42207 Biso 1.000 C C11 1.0000 0.50000 0.07680 0.92207 Biso 1.000 C C12 1.0000 0.00000 0.30746 0.27032 Biso 1.000 C data_G9 _cell_length_a 2.5096 _cell_length_b 6.19063 _cell_length_c 6.19063 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G9 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.50000 0.18025 Biso 1.000 C C2 1.0000 0.00000 0.68025 0.50000 Biso 1.000 C C3 1.0000 0.50000 0.81975 0.50000 Biso 1.000 C C4 1.0000 0.00000 0.50000 0.31975 Biso 1.000 C C5 1.0000 0.50000 0.00000 0.68025 Biso 1.000 C C6 1.0000 0.00000 0.18025 -0.00000 Biso 1.000 C C7 1.0000 0.50000 0.31975 -0.00000 Biso 1.000 C C8 1.0000 0.00000 -0.00000 0.81975 Biso 1.000 C C9 1.0000 -0.00000 0.50000 0.68025 Biso 1.000 C C10 1.0000 0.50000 0.68025 0.00000 Biso 1.000 C C11 1.0000 -0.00000 0.81975 0.00000 Biso 1.000 C C12 1.0000 0.50000 0.50000 0.81975 Biso 1.000 C C13 1.0000 -0.00000 0.00000 0.18025 Biso 1.000 C C14 1.0000 0.50000 0.18025 0.50000 Biso 1.000 C C15 1.0000 0.00000 0.31975 0.50000 Biso 1.000 C C16 1.0000 0.50000 0.00000 0.31975 Biso 1.000 C data_G11 _cell_length_a 4.25731 _cell_length_b 4.49596 _cell_length_c 4.51176 _cell_angle_alpha 103.571 _cell_angle_beta 90.0718 _cell_angle_gamma 103.645 _chemical_formula_sum G11 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.41921 0.87002 0.86832 Biso 1.000 C C2 1.0000 0.81408 0.56835 0.72744 Biso 1.000 C C3 1.0000 0.09221 0.74996 0.27403 Biso 1.000 C C4 1.0000 0.90779 0.25004 0.72597 Biso 1.000 C C5 1.0000 0.48920 0.54768 0.84684 Biso 1.000 C C6 1.0000 0.18592 0.43165 0.27256 Biso 1.000 C C7 1.0000 0.61714 0.96243 0.59313 Biso 1.000 C C8 1.0000 0.94443 0.16532 0.04597 Biso 1.000 C C9 1.0000 0.51080 0.45232 0.15316 Biso 1.000 C C10 1.0000 0.76532 0.68946 0.42471 Biso 1.000 C C11 1.0000 0.23468 0.31054 0.57529 Biso 1.000 C C12 1.0000 0.05557 0.83468 0.95403 Biso 1.000 C C13 1.0000 0.38286 0.03757 0.40687 Biso 1.000 C C14 1.0000 0.58079 0.12998 0.13168 Biso 1.000 C data_G12 _cell_length_a 4.34221 _cell_length_b 2.52064 _cell_length_c 7.55839 _cell_angle_alpha 90 _cell_angle_beta 90.2649 _cell_angle_gamma 90 _chemical_formula_sum G12 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.75936 0.75000 0.81079 Biso 1.000 C C2 1.0000 0.58219 0.25000 0.53683 Biso 1.000 C C3 1.0000 0.41781 0.75000 0.46317 Biso 1.000 C C4 1.0000 0.08742 0.75000 0.72938 Biso 1.000 C C5 1.0000 0.10750 0.25000 0.99913 Biso 1.000 C C6 1.0000 0.91498 0.25000 0.46874 Biso 1.000 C C7 1.0000 0.89250 0.75000 0.00087 Biso 1.000 C C8 1.0000 0.91258 0.25000 0.27062 Biso 1.000 C C9 1.0000 0.41556 0.75000 0.24980 Biso 1.000 C C10 1.0000 0.75649 0.75000 0.19292 Biso 1.000 C C11 1.0000 0.08502 0.75000 0.53126 Biso 1.000 C C12 1.0000 0.58444 0.25000 0.75020 Biso 1.000 C C13 1.0000 0.24351 0.25000 0.80708 Biso 1.000 C C14 1.0000 0.24064 0.25000 0.18921 Biso 1.000 C data_G13 _cell_length_a 3.37605 _cell_length_b 3.84593 _cell_length_c 3.99055 _cell_angle_alpha 92.0151 _cell_angle_beta 105.684 _cell_angle_gamma 95.8912 _chemical_formula_sum G13 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.46441 0.02101 0.46084 Biso 1.000 C C2 1.0000 0.90266 0.54397 0.38466 Biso 1.000 C C3 1.0000 0.07959 0.03191 0.13196 Biso 1.000 C C4 1.0000 0.33016 0.67554 0.62299 Biso 1.000 C C5 1.0000 0.65286 0.38623 0.63877 Biso 1.000 C C6 1.0000 0.98405 0.39474 0.02492 Biso 1.000 C C7 1.0000 0.70442 0.84931 0.23876 Biso 1.000 C C8 1.0000 0.28054 0.72850 0.97441 Biso 1.000 C data_G14 _cell_length_a 15.2446 _cell_length_b 2.51614 _cell_length_c 4.33446 _cell_angle_alpha 90 _cell_angle_beta 95.3893 _cell_angle_gamma 90 _chemical_formula_sum G14 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.57223 0.50000 0.82287 Biso 1.000 C C2 1.0000 0.43605 0.50000 0.12158 Biso 1.000 C C3 1.0000 0.76448 0.50000 0.88861 Biso 1.000 C C4 1.0000 0.66840 0.50000 0.71911 Biso 1.000 C C5 1.0000 0.80323 0.00000 0.74597 Biso 1.000 C C6 1.0000 0.54410 0.50000 0.15645 Biso 1.000 C C7 1.0000 0.57462 0.00000 0.33945 Biso 1.000 C C8 1.0000 0.79322 0.50000 0.23940 Biso 1.000 C C9 1.0000 0.53341 0.00000 0.65271 Biso 1.000 C C10 1.0000 0.40176 0.50000 0.77765 Biso 1.000 C C11 1.0000 0.66867 0.00000 0.50393 Biso 1.000 C C12 1.0000 0.43349 0.00000 0.61925 Biso 1.000 C C13 1.0000 0.76306 0.00000 0.40363 Biso 1.000 C C14 1.0000 0.39950 0.00000 0.27385 Biso 1.000 C C15 1.0000 0.07223 0.00000 0.82287 Biso 1.000 C C16 1.0000 0.93605 0.00000 0.12158 Biso 1.000 C C17 1.0000 0.26448 0.00000 0.88861 Biso 1.000 C C18 1.0000 0.16840 0.00000 0.71911 Biso 1.000 C C19 1.0000 0.30323 0.50000 0.74597 Biso 1.000 C C20 1.0000 0.04410 0.00000 0.15645 Biso 1.000 C C21 1.0000 0.07462 0.50000 0.33945 Biso 1.000 C C22 1.0000 0.29322 0.00000 0.23940 Biso 1.000 C C23 1.0000 0.03341 0.50000 0.65271 Biso 1.000 C C24 1.0000 0.90176 0.00000 0.77765 Biso 1.000 C C25 1.0000 0.16867 0.50000 0.50394 Biso 1.000 C C26 1.0000 0.93349 0.50000 0.61925 Biso 1.000 C C27 1.0000 0.26306 0.50000 0.40363 Biso 1.000 C C28 1.0000 0.89950 0.50000 0.27385 Biso 1.000 C data_G16 _cell_length_a 3.40754 _cell_length_b 8.48239 _cell_length_c 2.49589 _cell_angle_alpha 90 _cell_angle_beta 104.593 _cell_angle_gamma 90 _chemical_formula_sum G16 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.63672 0.66973 0.04003 Biso 1.000 C C2 1.0000 0.13672 0.83027 0.54003 Biso 1.000 C C3 1.0000 0.86328 0.83027 0.95997 Biso 1.000 C C4 1.0000 0.00000 0.55265 0.25000 Biso 1.000 C C5 1.0000 0.50000 0.94735 0.75000 Biso 1.000 C C6 1.0000 0.36328 0.66973 0.45997 Biso 1.000 C C7 1.0000 0.13672 0.16973 0.04003 Biso 1.000 C C8 1.0000 0.63672 0.33027 0.54003 Biso 1.000 C C9 1.0000 0.36328 0.33027 0.95997 Biso 1.000 C C10 1.0000 0.50000 0.05265 0.25000 Biso 1.000 C C11 1.0000 1.00000 0.44735 0.75000 Biso 1.000 C C12 1.0000 0.86328 0.16973 0.45997 Biso 1.000 C data_G17 _cell_length_a 13.2497 _cell_length_b 2.52755 _cell_length_c 4.22697 _cell_angle_alpha 90 _cell_angle_beta 96.3372 _cell_angle_gamma 90 _chemical_formula_sum G17 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.34581 0.50000 0.93511 Biso 1.000 C C2 1.0000 0.31776 0.50000 0.27360 Biso 1.000 C C3 1.0000 0.53971 0.50000 0.15152 Biso 1.000 C C4 1.0000 0.53899 0.00000 0.37513 Biso 1.000 C C5 1.0000 0.68224 0.50000 0.72640 Biso 1.000 C C6 1.0000 0.29982 0.00000 0.76700 Biso 1.000 C C7 1.0000 0.64980 -0.00000 0.53730 Biso 1.000 C C8 1.0000 0.46101 -0.00000 0.62487 Biso 1.000 C C9 1.0000 0.35020 0.00000 0.46270 Biso 1.000 C C10 1.0000 0.65419 0.50000 0.06489 Biso 1.000 C C11 1.0000 0.70018 -0.00000 0.23300 Biso 1.000 C C12 1.0000 0.46029 0.50000 0.84848 Biso 1.000 C C13 1.0000 0.84581 -0.00000 0.93511 Biso 1.000 C C14 1.0000 0.81776 -0.00000 0.27360 Biso 1.000 C C15 1.0000 0.03971 0.00000 0.15152 Biso 1.000 C C16 1.0000 0.03899 0.50000 0.37513 Biso 1.000 C C17 1.0000 0.18224 0.00000 0.72640 Biso 1.000 C C18 1.0000 0.79982 0.50000 0.76700 Biso 1.000 C C19 1.0000 0.14980 0.50000 0.53730 Biso 1.000 C C20 1.0000 0.96101 0.50000 0.62487 Biso 1.000 C C21 1.0000 0.85020 0.50000 0.46270 Biso 1.000 C C22 1.0000 0.15419 0.00000 0.06489 Biso 1.000 C C23 1.0000 0.20018 0.50000 0.23300 Biso 1.000 C C24 1.0000 0.96029 -0.00000 0.84848 Biso 1.000 C data_G18 _cell_length_a 3.57061 _cell_length_b 3.57061 _cell_length_c 3.57061 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G18 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.25000 0.25000 0.25000 Biso 1.000 C C2 1.0000 0.00000 0.00000 0.00000 Biso 1.000 C C3 1.0000 0.25000 0.75000 0.75000 Biso 1.000 C C4 1.0000 0.00000 0.50000 0.50000 Biso 1.000 C C5 1.0000 0.75000 0.25000 0.75000 Biso 1.000 C C6 1.0000 0.50000 0.00000 0.50000 Biso 1.000 C C7 1.0000 0.75000 0.75000 0.25000 Biso 1.000 C C8 1.0000 0.50000 0.50000 0.00000 Biso 1.000 C data_G20 _cell_length_a 2.48969 _cell_length_b 4.33004 _cell_length_c 4.4715 _cell_angle_alpha 73.3296 _cell_angle_beta 89.6352 _cell_angle_gamma 88.9451 _chemical_formula_sum G20 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.73258 0.90713 0.58280 Biso 1.000 C C2 1.0000 0.08638 0.63960 0.06746 Biso 1.000 C C3 1.0000 0.91362 0.36040 0.93254 Biso 1.000 C C4 1.0000 0.26741 0.09287 0.41720 Biso 1.000 C C5 1.0000 0.76366 0.54210 0.58214 Biso 1.000 C C6 1.0000 0.41784 0.15084 0.05126 Biso 1.000 C C7 1.0000 0.23634 0.45790 0.41786 Biso 1.000 C C8 1.0000 0.58216 0.84916 0.94874 Biso 1.000 C data_G21 _cell_length_a 4.34105 _cell_length_b 2.52064 _cell_length_c 5.65446 _cell_angle_alpha 90 _cell_angle_beta 105.01 _cell_angle_gamma 90 _chemical_formula_sum G21 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.82877 0.25000 0.76964 Biso 1.000 C C2 1.0000 0.80465 0.75000 0.16282 Biso 1.000 C C3 1.0000 0.60701 0.25000 0.50322 Biso 1.000 C C4 1.0000 0.39299 0.75000 0.49678 Biso 1.000 C C5 1.0000 0.19535 0.25000 0.83718 Biso 1.000 C C6 1.0000 0.70925 0.75000 0.87975 Biso 1.000 C C7 1.0000 0.34239 0.75000 0.75615 Biso 1.000 C C8 1.0000 0.17123 0.75000 0.23036 Biso 1.000 C C9 1.0000 0.65761 0.25000 0.24385 Biso 1.000 C C10 1.0000 0.29075 0.25000 0.12024 Biso 1.000 C data_G22 _cell_length_a 2.51743 _cell_length_b 3.94085 _cell_length_c 12.1852 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G22 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.44055 0.55905 Biso 1.000 C C2 1.0000 0.50000 0.54746 0.87578 Biso 1.000 C C3 1.0000 0.50000 0.25000 0.78525 Biso 1.000 C C4 1.0000 0.00000 0.95254 0.62422 Biso 1.000 C C5 1.0000 0.50000 0.95254 0.87578 Biso 1.000 C C6 1.0000 0.00000 0.05945 0.94095 Biso 1.000 C C7 1.0000 0.00000 0.44055 0.94095 Biso 1.000 C C8 1.0000 0.00000 0.25000 0.71475 Biso 1.000 C C9 1.0000 0.50000 0.05945 0.55905 Biso 1.000 C C10 1.0000 0.00000 0.54746 0.62422 Biso 1.000 C C11 1.0000 0.00000 0.94055 0.05905 Biso 1.000 C C12 1.0000 0.00000 0.04746 0.37578 Biso 1.000 C C13 1.0000 0.00000 0.75000 0.28525 Biso 1.000 C C14 1.0000 0.50000 0.45254 0.12422 Biso 1.000 C C15 1.0000 0.00000 0.45254 0.37578 Biso 1.000 C C16 1.0000 0.50000 0.55945 0.44095 Biso 1.000 C C17 1.0000 0.50000 0.94055 0.44095 Biso 1.000 C C18 1.0000 0.50000 0.75000 0.21475 Biso 1.000 C C19 1.0000 0.00000 0.55945 0.05905 Biso 1.000 C C20 1.0000 0.50000 0.04746 0.12422 Biso 1.000 C data_G23 _cell_length_a 5.53293 _cell_length_b 6.63682 _cell_length_c 2.49618 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G23 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.41838 0.50000 0.50000 Biso 1.000 C C2 1.0000 0.50000 0.06791 0.75000 Biso 1.000 C C3 1.0000 0.73688 0.18318 0.63091 Biso 1.000 C C4 1.0000 0.76312 0.31682 0.13091 Biso 1.000 C C5 1.0000 0.23688 0.31682 0.36909 Biso 1.000 C C6 1.0000 0.00000 0.43210 0.25000 Biso 1.000 C C7 1.0000 0.76312 0.68318 0.86909 Biso 1.000 C C8 1.0000 0.58162 0.50000 0.00000 Biso 1.000 C C9 1.0000 0.91838 -0.00000 0.50000 Biso 1.000 C C10 1.0000 0.00000 0.56790 0.75000 Biso 1.000 C C11 1.0000 0.23688 0.68318 0.63091 Biso 1.000 C C12 1.0000 0.26312 0.81682 0.13091 Biso 1.000 C C13 1.0000 0.73688 0.81682 0.36909 Biso 1.000 C C14 1.0000 0.50000 0.93209 0.25000 Biso 1.000 C C15 1.0000 0.26312 0.18318 0.86909 Biso 1.000 C C16 1.0000 0.08162 0.00000 0.00000 Biso 1.000 C data_G24 _cell_length_a 3.46238 _cell_length_b 8.35826 _cell_length_c 4.87022 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G24 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.08907 0.14654 0.60685 Biso 1.000 C C2 1.0000 0.00000 0.58315 0.25000 Biso 1.000 C C3 1.0000 0.00000 0.41685 0.75000 Biso 1.000 C C4 1.0000 0.18672 0.50000 -0.00000 Biso 1.000 C C5 1.0000 0.16240 0.19850 0.13962 Biso 1.000 C C6 1.0000 0.81328 0.50000 0.50000 Biso 1.000 C C7 1.0000 0.83760 0.19850 0.36038 Biso 1.000 C C8 1.0000 0.91093 0.14654 0.89315 Biso 1.000 C C9 1.0000 0.58907 0.35346 0.39315 Biso 1.000 C C10 1.0000 0.33760 0.30150 0.63962 Biso 1.000 C C11 1.0000 0.41093 0.35346 0.10685 Biso 1.000 C C12 1.0000 0.66240 0.30150 0.86038 Biso 1.000 C C13 1.0000 0.58907 0.64654 0.60685 Biso 1.000 C C14 1.0000 0.50000 0.08315 0.25000 Biso 1.000 C C15 1.0000 0.50000 0.91685 0.75000 Biso 1.000 C C16 1.0000 0.68672 0.00000 0.00000 Biso 1.000 C C17 1.0000 0.66240 0.69850 0.13962 Biso 1.000 C C18 1.0000 0.31328 0.00000 0.50000 Biso 1.000 C C19 1.0000 0.33760 0.69850 0.36038 Biso 1.000 C C20 1.0000 0.41093 0.64654 0.89315 Biso 1.000 C C21 1.0000 0.08907 0.85346 0.39315 Biso 1.000 C C22 1.0000 0.83760 0.80150 0.63962 Biso 1.000 C C23 1.0000 0.91093 0.85346 0.10685 Biso 1.000 C C24 1.0000 0.16240 0.80150 0.86038 Biso 1.000 C data_G25 _cell_length_a 5.56819 _cell_length_b 5.56819 _cell_length_c 5.51274 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G25 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.77075 0.37776 0.87754 Biso 1.000 C C2 1.0000 0.74840 0.48108 0.62294 Biso 1.000 C C3 1.0000 0.50000 -0.00000 0.75000 Biso 1.000 C C4 1.0000 0.81940 0.59579 0.04909 Biso 1.000 C C5 1.0000 0.72925 0.12224 0.37754 Biso 1.000 C C6 1.0000 0.75160 0.01892 0.12294 Biso 1.000 C C7 1.0000 0.51892 0.74840 0.37706 Biso 1.000 C C8 1.0000 0.90421 0.31940 0.45091 Biso 1.000 C C9 1.0000 0.98108 0.75160 0.87706 Biso 1.000 C C10 1.0000 0.50000 0.50000 0.50000 Biso 1.000 C C11 1.0000 0.87776 0.72925 0.62246 Biso 1.000 C C12 1.0000 0.09579 0.68060 0.45091 Biso 1.000 C C13 1.0000 0.12224 0.27075 0.62246 Biso 1.000 C C14 1.0000 0.68060 0.90421 0.54909 Biso 1.000 C C15 1.0000 0.27075 0.87776 0.37754 Biso 1.000 C C16 1.0000 0.24840 0.98108 0.12294 Biso 1.000 C C17 1.0000 0.00000 0.50000 0.25000 Biso 1.000 C C18 1.0000 0.31940 0.09579 0.54909 Biso 1.000 C C19 1.0000 0.22925 0.62224 0.87754 Biso 1.000 C C20 1.0000 0.25160 0.51892 0.62294 Biso 1.000 C C21 1.0000 0.01892 0.24840 0.87706 Biso 1.000 C C22 1.0000 0.40421 0.81940 0.95091 Biso 1.000 C C23 1.0000 0.48108 0.25160 0.37706 Biso 1.000 C C24 1.0000 0.00000 0.00000 0.00000 Biso 1.000 C C25 1.0000 0.37776 0.22925 0.12246 Biso 1.000 C C26 1.0000 0.59579 0.18060 0.95091 Biso 1.000 C C27 1.0000 0.62224 0.77075 0.12246 Biso 1.000 C C28 1.0000 0.18060 0.40421 0.04909 Biso 1.000 C data_G26 _cell_length_a 3.79699 _cell_length_b 5.796 _cell_length_c 3.76218 _cell_angle_alpha 90 _cell_angle_beta 113.039 _cell_angle_gamma 90 _chemical_formula_sum G26 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.92606 0.62064 0.40978 Biso 1.000 C C2 1.0000 0.50000 0.70510 0.25000 Biso 1.000 C C3 1.0000 0.07394 0.37936 0.59022 Biso 1.000 C C4 1.0000 1.00000 0.79490 0.75000 Biso 1.000 C C5 1.0000 0.07394 0.62064 0.09022 Biso 1.000 C C6 1.0000 0.92606 0.37936 0.90978 Biso 1.000 C C7 1.0000 0.42606 0.12064 0.40978 Biso 1.000 C C8 1.0000 1.00000 0.20510 0.25000 Biso 1.000 C C9 1.0000 0.57394 0.87936 0.59022 Biso 1.000 C C10 1.0000 0.50000 0.29490 0.75000 Biso 1.000 C C11 1.0000 0.57394 0.12064 0.09022 Biso 1.000 C C12 1.0000 0.42606 0.87936 0.90978 Biso 1.000 C data_G27 _cell_length_a 3.45073 _cell_length_b 4.83844 _cell_length_c 7.09142 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G27 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.71877 0.00000 0.25000 Biso 1.000 C C2 1.0000 0.07609 0.60443 0.07592 Biso 1.000 C C3 1.0000 0.57609 0.89557 0.92408 Biso 1.000 C C4 1.0000 0.78123 0.00000 0.75000 Biso 1.000 C C5 1.0000 0.92391 0.89557 0.07592 Biso 1.000 C C6 1.0000 0.50000 0.25000 0.14724 Biso 1.000 C C7 1.0000 0.50000 0.75000 0.35276 Biso 1.000 C C8 1.0000 0.25000 0.08592 0.00000 Biso 1.000 C C9 1.0000 0.42391 0.60443 0.92408 Biso 1.000 C C10 1.0000 0.25000 0.91408 0.50000 Biso 1.000 C C11 1.0000 0.21877 0.50000 0.75000 Biso 1.000 C C12 1.0000 0.57609 0.10443 0.57592 Biso 1.000 C C13 1.0000 0.07609 0.39557 0.42408 Biso 1.000 C C14 1.0000 0.28123 0.50000 0.25000 Biso 1.000 C C15 1.0000 0.42391 0.39557 0.57592 Biso 1.000 C C16 1.0000 0.00000 0.75000 0.64724 Biso 1.000 C C17 1.0000 0.00000 0.25000 0.85276 Biso 1.000 C C18 1.0000 0.75000 0.58592 0.50000 Biso 1.000 C C19 1.0000 0.92391 0.10443 0.42408 Biso 1.000 C C20 1.0000 0.75000 0.41408 0.00000 Biso 1.000 C data_G28 _cell_length_a 2.53017 _cell_length_b 6.83384 _cell_length_c 8.50995 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G28 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.00000 0.30306 Biso 1.000 C C2 1.0000 0.50000 0.31462 0.09349 Biso 1.000 C C3 1.0000 0.50000 0.31462 0.90651 Biso 1.000 C C4 1.0000 -0.00000 0.18538 0.09349 Biso 1.000 C C5 1.0000 0.00000 -0.00000 0.19694 Biso 1.000 C C6 1.0000 -0.00000 0.18538 0.90651 Biso 1.000 C C7 1.0000 0.50000 0.50000 0.80306 Biso 1.000 C C8 1.0000 0.50000 0.81462 0.59349 Biso 1.000 C C9 1.0000 0.50000 0.81462 0.40651 Biso 1.000 C C10 1.0000 0.00000 0.68538 0.59349 Biso 1.000 C C11 1.0000 0.00000 0.50000 0.69694 Biso 1.000 C C12 1.0000 0.00000 0.68538 0.40651 Biso 1.000 C C13 1.0000 -0.00000 0.00000 0.80306 Biso 1.000 C C14 1.0000 -0.00000 0.31462 0.59349 Biso 1.000 C C15 1.0000 0.00000 0.31462 0.40651 Biso 1.000 C C16 1.0000 0.50000 0.18538 0.59349 Biso 1.000 C C17 1.0000 0.50000 0.00000 0.69694 Biso 1.000 C C18 1.0000 0.50000 0.18538 0.40651 Biso 1.000 C C19 1.0000 0.00000 0.50000 0.30306 Biso 1.000 C C20 1.0000 0.00000 0.81462 0.09349 Biso 1.000 C C21 1.0000 0.00000 0.81462 0.90651 Biso 1.000 C C22 1.0000 0.50000 0.68538 0.09349 Biso 1.000 C C23 1.0000 0.50000 0.50000 0.19694 Biso 1.000 C C24 1.0000 0.50000 0.68538 0.90651 Biso 1.000 C data_G30 _cell_length_a 3.57075 _cell_length_b 3.57086 _cell_length_c 3.37623 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120.003 _chemical_formula_sum G30 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.23259 0.76742 0.41668 Biso 1.000 C C2 1.0000 0.23257 0.46513 0.74998 Biso 1.000 C C3 1.0000 0.46512 0.23255 0.58334 Biso 1.000 C C4 1.0000 0.76741 0.23258 0.91668 Biso 1.000 C C5 1.0000 0.76743 0.53487 0.24998 Biso 1.000 C C6 1.0000 0.53488 0.76745 0.08334 Biso 1.000 C data_G31 _cell_length_a 4.01551 _cell_length_b 2.52587 _cell_length_c 6.03823 _cell_angle_alpha 90 _cell_angle_beta 104.444 _cell_angle_gamma 90 _chemical_formula_sum G31 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.90916 0.25000 0.94391 Biso 1.000 C C2 1.0000 0.38240 0.75000 0.50268 Biso 1.000 C C3 1.0000 0.95466 0.25000 0.69878 Biso 1.000 C C4 1.0000 0.19317 0.75000 0.70434 Biso 1.000 C C5 1.0000 0.80683 0.25000 0.29566 Biso 1.000 C C6 1.0000 0.39829 0.75000 0.96560 Biso 1.000 C C7 1.0000 0.60171 0.25000 0.03440 Biso 1.000 C C8 1.0000 0.61760 0.25000 0.49732 Biso 1.000 C C9 1.0000 0.04534 0.75000 0.30122 Biso 1.000 C C10 1.0000 0.09084 0.75000 0.05609 Biso 1.000 C data_G35 _cell_length_a 3.34655 _cell_length_b 4.24841 _cell_length_c 4.73933 _cell_angle_alpha 82.3076 _cell_angle_beta 74.9391 _cell_angle_gamma 72.6849 _chemical_formula_sum G35 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.90519 0.21480 0.19649 Biso 1.000 C C2 1.0000 0.35337 0.95331 0.13760 Biso 1.000 C C3 1.0000 0.50132 0.09760 0.36054 Biso 1.000 C C4 1.0000 0.49868 0.90240 0.63946 Biso 1.000 C C5 1.0000 0.70599 0.37479 0.92166 Biso 1.000 C C6 1.0000 0.29401 0.62521 0.07834 Biso 1.000 C C7 1.0000 0.64663 0.04669 0.86240 Biso 1.000 C C8 1.0000 0.89398 0.58292 0.64911 Biso 1.000 C C9 1.0000 0.10602 0.41708 0.35089 Biso 1.000 C C10 1.0000 0.09481 0.78520 0.80351 Biso 1.000 C data_G39 _cell_length_a 3.44814 _cell_length_b 13.664 _cell_length_c 2.50482 _cell_angle_alpha 90 _cell_angle_beta 98.7346 _cell_angle_gamma 90 _chemical_formula_sum G39 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.96733 0.25000 Biso 1.000 C C2 1.0000 0.13397 0.10680 0.53592 Biso 1.000 C C3 1.0000 0.63062 0.20323 0.00549 Biso 1.000 C C4 1.0000 0.63062 0.79677 0.50549 Biso 1.000 C C5 1.0000 0.13397 0.89320 0.03592 Biso 1.000 C C6 1.0000 0.86603 0.89320 0.46408 Biso 1.000 C C7 1.0000 0.36938 0.79677 0.99451 Biso 1.000 C C8 1.0000 0.36938 0.20323 0.49451 Biso 1.000 C C9 1.0000 0.86603 0.10680 0.96408 Biso 1.000 C C10 1.0000 0.50000 0.03267 0.75000 Biso 1.000 C C11 1.0000 1.00000 0.46733 0.25000 Biso 1.000 C C12 1.0000 0.63397 0.60680 0.53592 Biso 1.000 C C13 1.0000 0.13062 0.70323 0.00549 Biso 1.000 C C14 1.0000 0.13062 0.29677 0.50549 Biso 1.000 C C15 1.0000 0.63397 0.39320 0.03592 Biso 1.000 C C16 1.0000 0.36603 0.39320 0.46408 Biso 1.000 C C17 1.0000 0.86938 0.29677 0.99451 Biso 1.000 C C18 1.0000 0.86938 0.70323 0.49451 Biso 1.000 C C19 1.0000 0.36603 0.60680 0.96408 Biso 1.000 C C20 1.0000 0.00000 0.53267 0.75000 Biso 1.000 C data_G40 _cell_length_a 3.48201 _cell_length_b 4.53058 _cell_length_c 4.94675 _cell_angle_alpha 96.3273 _cell_angle_beta 97.672 _cell_angle_gamma 113.438 _chemical_formula_sum G40 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.95834 0.20737 0.78341 Biso 1.000 C C2 1.0000 0.02947 0.88347 0.71898 Biso 1.000 C C3 1.0000 0.45871 0.36365 0.38373 Biso 1.000 C C4 1.0000 0.31054 0.84419 0.50323 Biso 1.000 C C5 1.0000 0.97053 0.11653 0.28102 Biso 1.000 C C6 1.0000 0.68946 0.15581 0.49677 Biso 1.000 C C7 1.0000 0.54129 0.63635 0.61627 Biso 1.000 C C8 1.0000 0.27861 0.83740 0.97305 Biso 1.000 C C9 1.0000 0.35782 0.52872 0.87808 Biso 1.000 C C10 1.0000 0.72139 0.16260 0.02695 Biso 1.000 C C11 1.0000 0.64218 0.47128 0.12192 Biso 1.000 C C12 1.0000 0.04166 0.79263 0.21659 Biso 1.000 C data_G45 _cell_length_a 3.42618 _cell_length_b 3.42618 _cell_length_c 6.08573 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G45 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.66821 0.16821 0.64027 Biso 1.000 C C2 1.0000 0.00000 -0.00000 0.50000 Biso 1.000 C C3 1.0000 0.83179 0.66821 0.35973 Biso 1.000 C C4 1.0000 0.50000 0.50000 0.50000 Biso 1.000 C C5 1.0000 0.66821 0.83179 0.14027 Biso 1.000 C C6 1.0000 0.33179 0.83179 0.64027 Biso 1.000 C C7 1.0000 0.50000 0.50000 0.00000 Biso 1.000 C C8 1.0000 0.16821 0.66821 0.85973 Biso 1.000 C C9 1.0000 0.00000 0.00000 0.00000 Biso 1.000 C C10 1.0000 0.33179 0.16821 0.14027 Biso 1.000 C C11 1.0000 0.16821 0.33179 0.35973 Biso 1.000 C C12 1.0000 0.83179 0.33179 0.85973 Biso 1.000 C data_G47 _cell_length_a 3.07246 _cell_length_b 3.6552 _cell_length_c 7.99186 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G47 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00000 0.50000 0.50000 Biso 1.000 C C2 1.0000 0.18677 0.85926 0.14545 Biso 1.000 C C3 1.0000 0.81323 0.14074 0.14545 Biso 1.000 C C4 1.0000 0.68677 0.64074 0.35455 Biso 1.000 C C5 1.0000 0.31323 0.35926 0.35455 Biso 1.000 C C6 1.0000 0.00000 0.50000 0.21553 Biso 1.000 C C7 1.0000 0.50000 0.00000 0.28447 Biso 1.000 C C8 1.0000 0.50000 0.00000 0.00000 Biso 1.000 C C9 1.0000 0.68677 0.35926 0.64545 Biso 1.000 C C10 1.0000 0.31323 0.64074 0.64545 Biso 1.000 C C11 1.0000 0.18677 0.14074 0.85455 Biso 1.000 C C12 1.0000 0.81323 0.85926 0.85455 Biso 1.000 C C13 1.0000 0.50000 0.00000 0.71553 Biso 1.000 C C14 1.0000 0.00000 0.50000 0.78447 Biso 1.000 C data_G51 _cell_length_a 3.81315 _cell_length_b 2.52179 _cell_length_c 3.90827 _cell_angle_alpha 90 _cell_angle_beta 89.9987 _cell_angle_gamma 90 _chemical_formula_sum G51 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.88488 0.25000 0.99999 Biso 1.000 C C2 1.0000 0.38304 0.75000 0.70497 Biso 1.000 C C3 1.0000 0.11512 0.75000 0.00001 Biso 1.000 C C4 1.0000 0.61699 0.25000 0.70496 Biso 1.000 C C5 1.0000 0.38301 0.75000 0.29504 Biso 1.000 C C6 1.0000 0.61696 0.25000 0.29503 Biso 1.000 C data_G52 _cell_length_a 3.43532 _cell_length_b 3.76901 _cell_length_c 6.01981 _cell_angle_alpha 81.4587 _cell_angle_beta 87.1759 _cell_angle_gamma 76.4162 _chemical_formula_sum G52 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.71577 0.87978 0.04521 Biso 1.000 C C2 1.0000 0.60304 0.58014 0.65104 Biso 1.000 C C3 1.0000 0.61710 0.50344 0.11058 Biso 1.000 C C4 1.0000 0.95094 0.15536 0.13891 Biso 1.000 C C5 1.0000 0.04906 0.84465 0.86109 Biso 1.000 C C6 1.0000 0.38290 0.49656 0.88942 Biso 1.000 C C7 1.0000 0.28423 0.12022 0.95479 Biso 1.000 C C8 1.0000 0.87699 0.84579 0.63501 Biso 1.000 C C9 1.0000 0.12301 0.15421 0.36499 Biso 1.000 C C10 1.0000 0.74626 0.24936 0.51489 Biso 1.000 C C11 1.0000 0.25374 0.75064 0.48511 Biso 1.000 C C12 1.0000 0.39696 0.41986 0.34896 Biso 1.000 C data_G54 _cell_length_a 8.30829 _cell_length_b 3.48087 _cell_length_c 6.18008 _cell_angle_alpha 90 _cell_angle_beta 112.984 _cell_angle_gamma 90 _chemical_formula_sum G54 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.82423 0.77017 0.90005 Biso 1.000 C C2 1.0000 0.67577 0.27017 0.09995 Biso 1.000 C C3 1.0000 0.38967 0.34574 0.29706 Biso 1.000 C C4 1.0000 0.61033 0.34574 0.70294 Biso 1.000 C C5 1.0000 0.47821 0.68437 0.20800 Biso 1.000 C C6 1.0000 0.37297 0.85809 0.57170 Biso 1.000 C C7 1.0000 0.75533 0.08178 0.35360 Biso 1.000 C C8 1.0000 0.50000 0.49236 0.00000 Biso 1.000 C C9 1.0000 0.50000 0.12033 0.50000 Biso 1.000 C C10 1.0000 0.83469 0.51797 0.11351 Biso 1.000 C C11 1.0000 0.66531 0.01797 0.88649 Biso 1.000 C C12 1.0000 0.52179 0.68437 0.79200 Biso 1.000 C C13 1.0000 0.74468 0.58178 0.64640 Biso 1.000 C C14 1.0000 0.62703 0.85809 0.42830 Biso 1.000 C C15 1.0000 0.32423 0.27017 0.90005 Biso 1.000 C C16 1.0000 0.17577 0.77017 0.09995 Biso 1.000 C C17 1.0000 0.88967 0.84574 0.29706 Biso 1.000 C C18 1.0000 0.11033 0.84574 0.70294 Biso 1.000 C C19 1.0000 0.97821 0.18437 0.20800 Biso 1.000 C C20 1.0000 0.87297 0.35809 0.57170 Biso 1.000 C C21 1.0000 0.25533 0.58178 0.35360 Biso 1.000 C C22 1.0000 0.00000 0.99236 0.00000 Biso 1.000 C C23 1.0000 0.00000 0.62033 0.50000 Biso 1.000 C C24 1.0000 0.33469 0.01797 0.11351 Biso 1.000 C C25 1.0000 0.16531 0.51797 0.88649 Biso 1.000 C C26 1.0000 0.02179 0.18437 0.79200 Biso 1.000 C C27 1.0000 0.24467 0.08178 0.64640 Biso 1.000 C C28 1.0000 0.12703 0.35809 0.42830 Biso 1.000 C data_G58 _cell_length_a 4.27701 _cell_length_b 9.29235 _cell_length_c 3.77173 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G58 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.93402 0.82252 0.70975 Biso 1.000 C C2 1.0000 0.06596 0.67346 0.83504 Biso 1.000 C C3 1.0000 0.56598 0.82252 0.70975 Biso 1.000 C C4 1.0000 0.93402 0.67748 0.20975 Biso 1.000 C C5 1.0000 0.56598 0.67748 0.20975 Biso 1.000 C C6 1.0000 0.43404 0.82654 0.33504 Biso 1.000 C C7 1.0000 0.93205 0.92532 0.04253 Biso 1.000 C C8 1.0000 0.56795 0.92532 0.04253 Biso 1.000 C C9 1.0000 0.43404 0.67346 0.83504 Biso 1.000 C C10 1.0000 0.06795 0.07468 0.04253 Biso 1.000 C C11 1.0000 0.43205 0.07468 0.04253 Biso 1.000 C C12 1.0000 0.06596 0.82654 0.33504 Biso 1.000 C C13 1.0000 0.43402 0.32252 0.20975 Biso 1.000 C C14 1.0000 0.56596 0.17346 0.33504 Biso 1.000 C C15 1.0000 0.06598 0.32252 0.20975 Biso 1.000 C C16 1.0000 0.43402 0.17748 0.70975 Biso 1.000 C C17 1.0000 0.06598 0.17748 0.70975 Biso 1.000 C C18 1.0000 0.93404 0.32654 0.83504 Biso 1.000 C C19 1.0000 0.43205 0.42532 0.54253 Biso 1.000 C C20 1.0000 0.06795 0.42532 0.54253 Biso 1.000 C C21 1.0000 0.93404 0.17346 0.33504 Biso 1.000 C C22 1.0000 0.56795 0.57468 0.54253 Biso 1.000 C C23 1.0000 0.93205 0.57468 0.54253 Biso 1.000 C C24 1.0000 0.56596 0.32654 0.83504 Biso 1.000 C data_G59 _cell_length_a 8.69062 _cell_length_b 3.42534 _cell_length_c 6.03241 _cell_angle_alpha 90 _cell_angle_beta 113.08 _cell_angle_gamma 90 _chemical_formula_sum G59 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.63877 0.45878 0.18767 Biso 1.000 C C2 1.0000 0.57562 0.88664 0.49758 Biso 1.000 C C3 1.0000 0.78340 0.69236 0.90837 Biso 1.000 C C4 1.0000 0.78340 0.30764 0.40837 Biso 1.000 C C5 1.0000 0.63877 0.54122 0.68767 Biso 1.000 C C6 1.0000 0.50000 0.32793 0.75000 Biso 1.000 C C7 1.0000 0.71660 0.80764 0.09163 Biso 1.000 C C8 1.0000 0.92438 0.38664 0.00242 Biso 1.000 C C9 1.0000 0.86123 0.04122 0.81233 Biso 1.000 C C10 1.0000 0.57562 0.11336 0.99758 Biso 1.000 C C11 1.0000 0.71660 0.19236 0.59163 Biso 1.000 C C12 1.0000 0.86123 0.95878 0.31233 Biso 1.000 C C13 1.0000 0.92438 0.61336 0.50242 Biso 1.000 C C14 1.0000 0.50000 0.67207 0.25000 Biso 1.000 C C15 1.0000 0.13877 0.95878 0.18767 Biso 1.000 C C16 1.0000 0.07562 0.38664 0.49758 Biso 1.000 C C17 1.0000 0.28340 0.19236 0.90837 Biso 1.000 C C18 1.0000 0.28340 0.80764 0.40837 Biso 1.000 C C19 1.0000 0.13877 0.04122 0.68767 Biso 1.000 C C20 1.0000 0.00000 0.82793 0.75000 Biso 1.000 C C21 1.0000 0.21660 0.30764 0.09163 Biso 1.000 C C22 1.0000 0.42438 0.88664 0.00242 Biso 1.000 C C23 1.0000 0.36123 0.54122 0.81233 Biso 1.000 C C24 1.0000 0.07562 0.61336 0.99758 Biso 1.000 C C25 1.0000 0.21660 0.69236 0.59163 Biso 1.000 C C26 1.0000 0.36123 0.45878 0.31233 Biso 1.000 C C27 1.0000 0.42438 0.11336 0.50242 Biso 1.000 C C28 1.0000 1.00000 0.17207 0.25000 Biso 1.000 C data_G60 _cell_length_a 3.32893 _cell_length_b 3.74709 _cell_length_c 4.78306 _cell_angle_alpha 75.2021 _cell_angle_beta 90 _cell_angle_gamma 63.6257 _chemical_formula_sum G60 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.59688 0.73739 0.19925 Biso 1.000 C C2 1.0000 0.34696 0.93533 0.43643 Biso 1.000 C C3 1.0000 0.78229 0.06465 0.06359 Biso 1.000 C C4 1.0000 0.16574 0.73740 0.69927 Biso 1.000 C C5 1.0000 0.65304 0.06467 0.56357 Biso 1.000 C C6 1.0000 0.21771 0.93535 0.93641 Biso 1.000 C C7 1.0000 0.83426 0.26260 0.30073 Biso 1.000 C C8 1.0000 0.40312 0.26261 0.80075 Biso 1.000 C data_G61 _cell_length_a 3.44 _cell_length_b 4.5668 _cell_length_c 5.44077 _cell_angle_alpha 88.672 _cell_angle_beta 85.3173 _cell_angle_gamma 79.0419 _chemical_formula_sum G61 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.41143 0.65359 0.93690 Biso 1.000 C C2 1.0000 0.58857 0.34641 0.06310 Biso 1.000 C C3 1.0000 0.26880 0.19242 0.21467 Biso 1.000 C C4 1.0000 0.14441 0.91323 0.10004 Biso 1.000 C C5 1.0000 0.33702 0.64124 0.50831 Biso 1.000 C C6 1.0000 0.73120 0.80758 0.78533 Biso 1.000 C C7 1.0000 0.11946 0.58775 0.74858 Biso 1.000 C C8 1.0000 0.66298 0.35876 0.49169 Biso 1.000 C C9 1.0000 0.01826 0.27495 0.67908 Biso 1.000 C C10 1.0000 0.39240 0.14902 0.48077 Biso 1.000 C C11 1.0000 0.60760 0.85098 0.51923 Biso 1.000 C C12 1.0000 0.85559 0.08677 0.89996 Biso 1.000 C C13 1.0000 0.98174 0.72505 0.32092 Biso 1.000 C C14 1.0000 0.88054 0.41225 0.25142 Biso 1.000 C data_G62 _cell_length_a 8.80631 _cell_length_b 2.52432 _cell_length_c 7.63585 _cell_angle_alpha 90 _cell_angle_beta 105.496 _cell_angle_gamma 90 _chemical_formula_sum G62 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.69703 0.50000 0.76561 Biso 1.000 C C2 1.0000 0.77958 0.50000 0.33849 Biso 1.000 C C3 1.0000 0.02866 0.00000 0.80824 Biso 1.000 C C4 1.0000 0.97134 0.00000 0.19176 Biso 1.000 C C5 1.0000 0.78208 0.50000 0.96661 Biso 1.000 C C6 1.0000 0.72042 0.00000 0.66151 Biso 1.000 C C7 1.0000 0.71792 0.00000 0.03339 Biso 1.000 C C8 1.0000 0.60656 0.50000 0.36934 Biso 1.000 C C9 1.0000 0.89344 0.00000 0.63066 Biso 1.000 C C10 1.0000 0.80297 -0.00000 0.23439 Biso 1.000 C C11 1.0000 0.91365 0.50000 0.52061 Biso 1.000 C C12 1.0000 0.58635 0.00000 0.47939 Biso 1.000 C C13 1.0000 0.04621 0.50000 0.93146 Biso 1.000 C C14 1.0000 0.95379 0.50000 0.06854 Biso 1.000 C C15 1.0000 0.19703 0.00000 0.76561 Biso 1.000 C C16 1.0000 0.27958 -0.00000 0.33849 Biso 1.000 C C17 1.0000 0.52866 0.50000 0.80824 Biso 1.000 C C18 1.0000 0.47134 0.50000 0.19176 Biso 1.000 C C19 1.0000 0.28208 0.00000 0.96661 Biso 1.000 C C20 1.0000 0.22042 0.50000 0.66151 Biso 1.000 C C21 1.0000 0.21792 0.50000 0.03339 Biso 1.000 C C22 1.0000 0.10656 -0.00000 0.36934 Biso 1.000 C C23 1.0000 0.39344 0.50000 0.63066 Biso 1.000 C C24 1.0000 0.30297 0.50000 0.23439 Biso 1.000 C C25 1.0000 0.41365 -0.00000 0.52061 Biso 1.000 C C26 1.0000 0.08635 0.50000 0.47939 Biso 1.000 C C27 1.0000 0.54621 -0.00000 0.93146 Biso 1.000 C C28 1.0000 0.45379 0.00000 0.06854 Biso 1.000 C data_G63 _cell_length_a 4.33802 _cell_length_b 2.50355 _cell_length_c 6.37912 _cell_angle_alpha 90 _cell_angle_beta 96.0277 _cell_angle_gamma 90 _chemical_formula_sum G63 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.76880 0.07615 0.11403 Biso 1.000 C C2 1.0000 0.23120 0.57615 0.88597 Biso 1.000 C C3 1.0000 0.72949 0.09605 0.86983 Biso 1.000 C C4 1.0000 0.05514 0.05254 0.79653 Biso 1.000 C C5 1.0000 0.94486 0.55254 0.20347 Biso 1.000 C C6 1.0000 0.44068 0.75936 0.55400 Biso 1.000 C C7 1.0000 0.45701 0.11950 0.20598 Biso 1.000 C C8 1.0000 0.27051 0.59605 0.13017 Biso 1.000 C C9 1.0000 0.07675 0.92211 0.55442 Biso 1.000 C C10 1.0000 0.92325 0.42211 0.44558 Biso 1.000 C C11 1.0000 0.54299 0.61950 0.79402 Biso 1.000 C C12 1.0000 0.55932 0.25936 0.44600 Biso 1.000 C data_G64 _cell_length_a 3.60797 _cell_length_b 4.51133 _cell_length_c 4.78141 _cell_angle_alpha 90 _cell_angle_beta 107.479 _cell_angle_gamma 90 _chemical_formula_sum G64 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.99539 0.41051 0.30494 Biso 1.000 C C2 1.0000 0.29501 0.82467 0.98851 Biso 1.000 C C3 1.0000 0.05511 0.72440 0.19323 Biso 1.000 C C4 1.0000 0.36382 0.16460 0.04759 Biso 1.000 C C5 1.0000 0.25192 0.90935 0.47280 Biso 1.000 C C6 1.0000 0.64782 0.72147 0.63494 Biso 1.000 C C7 1.0000 0.63618 0.66460 0.95241 Biso 1.000 C C8 1.0000 0.70499 0.32467 0.01149 Biso 1.000 C C9 1.0000 0.00461 0.91051 0.69506 Biso 1.000 C C10 1.0000 0.35218 0.22147 0.36506 Biso 1.000 C C11 1.0000 0.94489 0.22440 0.80677 Biso 1.000 C C12 1.0000 0.74808 0.40935 0.52720 Biso 1.000 C data_G66 _cell_length_a 9.01527 _cell_length_b 2.5221 _cell_length_c 5.56838 _cell_angle_alpha 90 _cell_angle_beta 111.251 _cell_angle_gamma 90 _chemical_formula_sum G66 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.40651 0.50000 0.48135 Biso 1.000 C C2 1.0000 0.32486 0.00000 0.33328 Biso 1.000 C C3 1.0000 0.69983 -0.00000 0.95132 Biso 1.000 C C4 1.0000 0.59349 0.50000 0.51865 Biso 1.000 C C5 1.0000 0.58422 -0.00000 0.09420 Biso 1.000 C C6 1.0000 0.67514 -0.00000 0.66672 Biso 1.000 C C7 1.0000 0.41578 0.00000 0.90580 Biso 1.000 C C8 1.0000 0.63375 0.50000 0.26869 Biso 1.000 C C9 1.0000 0.30017 0.00000 0.04868 Biso 1.000 C C10 1.0000 0.36625 0.50000 0.73131 Biso 1.000 C C11 1.0000 0.90651 -0.00000 0.48135 Biso 1.000 C C12 1.0000 0.82486 0.50000 0.33328 Biso 1.000 C C13 1.0000 0.19983 0.50000 0.95132 Biso 1.000 C C14 1.0000 0.09349 0.00000 0.51865 Biso 1.000 C C15 1.0000 0.08422 0.50000 0.09420 Biso 1.000 C C16 1.0000 0.17514 0.50000 0.66672 Biso 1.000 C C17 1.0000 0.91578 0.50000 0.90580 Biso 1.000 C C18 1.0000 0.13375 -0.00000 0.26869 Biso 1.000 C C19 1.0000 0.80017 0.50000 0.04868 Biso 1.000 C C20 1.0000 0.86625 0.00000 0.73131 Biso 1.000 C data_G68 _cell_length_a 8.76013 _cell_length_b 2.50558 _cell_length_c 7.37042 _cell_angle_alpha 90 _cell_angle_beta 92.3144 _cell_angle_gamma 90 _chemical_formula_sum G68 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.46805 0.85261 0.80528 Biso 1.000 C C2 1.0000 0.35706 0.94117 0.22666 Biso 1.000 C C3 1.0000 0.64294 0.94117 0.77334 Biso 1.000 C C4 1.0000 0.70401 0.13024 0.97627 Biso 1.000 C C5 1.0000 0.53195 0.85261 0.19472 Biso 1.000 C C6 1.0000 0.44026 0.30516 0.92386 Biso 1.000 C C7 1.0000 0.55974 0.30516 0.07614 Biso 1.000 C C8 1.0000 0.68849 0.42552 0.66512 Biso 1.000 C C9 1.0000 0.63247 0.89927 0.37176 Biso 1.000 C C10 1.0000 0.79599 0.63024 0.02373 Biso 1.000 C C11 1.0000 0.40913 0.41114 0.51795 Biso 1.000 C C12 1.0000 0.36753 0.89927 0.62824 Biso 1.000 C C13 1.0000 0.81151 0.92552 0.33488 Biso 1.000 C C14 1.0000 0.59087 0.41114 0.48205 Biso 1.000 C C15 1.0000 0.96805 0.35261 0.80528 Biso 1.000 C C16 1.0000 0.85706 0.44117 0.22666 Biso 1.000 C C17 1.0000 0.14294 0.44117 0.77334 Biso 1.000 C C18 1.0000 0.20401 0.63024 0.97627 Biso 1.000 C C19 1.0000 0.03195 0.35261 0.19472 Biso 1.000 C C20 1.0000 0.94026 0.80516 0.92386 Biso 1.000 C C21 1.0000 0.05974 0.80516 0.07614 Biso 1.000 C C22 1.0000 0.18849 0.92552 0.66512 Biso 1.000 C C23 1.0000 0.13247 0.39927 0.37176 Biso 1.000 C C24 1.0000 0.29599 0.13024 0.02373 Biso 1.000 C C25 1.0000 0.90913 0.91114 0.51795 Biso 1.000 C C26 1.0000 0.86753 0.39927 0.62824 Biso 1.000 C C27 1.0000 0.31151 0.42552 0.33488 Biso 1.000 C C28 1.0000 0.09087 0.91114 0.48205 Biso 1.000 C data_G69 _cell_length_a 6.98121 _cell_length_b 7.07463 _cell_length_c 3.43897 _cell_angle_alpha 90 _cell_angle_beta 102.001 _cell_angle_gamma 90 _chemical_formula_sum G69 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.08558 0.49367 0.19158 Biso 1.000 C C2 1.0000 0.78623 0.64409 0.57321 Biso 1.000 C C3 1.0000 0.83997 0.99799 0.74514 Biso 1.000 C C4 1.0000 0.91442 0.49367 0.80842 Biso 1.000 C C5 1.0000 0.11341 0.82984 0.53561 Biso 1.000 C C6 1.0000 0.75246 0.38509 0.94811 Biso 1.000 C C7 1.0000 0.50000 0.61288 1.00000 Biso 1.000 C C8 1.0000 0.66003 0.49799 0.25486 Biso 1.000 C C9 1.0000 1.00000 0.36711 0.50000 Biso 1.000 C C10 1.0000 0.21377 0.64409 0.42679 Biso 1.000 C C11 1.0000 0.63514 0.73721 0.78439 Biso 1.000 C C12 1.0000 0.74754 0.88509 0.05189 Biso 1.000 C C13 1.0000 0.86487 0.23721 0.21561 Biso 1.000 C C14 1.0000 0.88659 0.82984 0.46439 Biso 1.000 C C15 1.0000 0.58558 0.99367 0.19158 Biso 1.000 C C16 1.0000 0.28623 0.14409 0.57321 Biso 1.000 C C17 1.0000 0.33997 0.49799 0.74514 Biso 1.000 C C18 1.0000 0.41442 0.99367 0.80842 Biso 1.000 C C19 1.0000 0.61341 0.32984 0.53561 Biso 1.000 C C20 1.0000 0.25246 0.88509 0.94811 Biso 1.000 C C21 1.0000 0.00000 0.11288 0.00000 Biso 1.000 C C22 1.0000 0.16003 0.99799 0.25486 Biso 1.000 C C23 1.0000 0.50000 0.86711 0.50000 Biso 1.000 C C24 1.0000 0.71377 0.14409 0.42679 Biso 1.000 C C25 1.0000 0.13514 0.23721 0.78439 Biso 1.000 C C26 1.0000 0.24754 0.38509 0.05189 Biso 1.000 C C27 1.0000 0.36486 0.73721 0.21561 Biso 1.000 C C28 1.0000 0.38659 0.32984 0.46439 Biso 1.000 C data_G72 _cell_length_a 9.06918 _cell_length_b 2.49105 _cell_length_c 4.31187 _cell_angle_alpha 90 _cell_angle_beta 107.843 _cell_angle_gamma 90 _chemical_formula_sum G72 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.29053 0.88514 0.59371 Biso 1.000 C C2 1.0000 0.03608 0.06127 0.86355 Biso 1.000 C C3 1.0000 0.28968 0.70775 0.95826 Biso 1.000 C C4 1.0000 0.21032 0.20775 0.04174 Biso 1.000 C C5 1.0000 0.96392 0.06127 0.13645 Biso 1.000 C C6 1.0000 0.02617 0.52427 0.34687 Biso 1.000 C C7 1.0000 0.20947 0.38514 0.40629 Biso 1.000 C C8 1.0000 0.97383 0.52427 0.65313 Biso 1.000 C C9 1.0000 0.79053 0.38514 0.59371 Biso 1.000 C C10 1.0000 0.53608 0.56127 0.86355 Biso 1.000 C C11 1.0000 0.78968 0.20775 0.95826 Biso 1.000 C C12 1.0000 0.71032 0.70775 0.04174 Biso 1.000 C C13 1.0000 0.46392 0.56127 0.13645 Biso 1.000 C C14 1.0000 0.52617 0.02427 0.34687 Biso 1.000 C C15 1.0000 0.70947 0.88514 0.40629 Biso 1.000 C C16 1.0000 0.47383 0.02427 0.65313 Biso 1.000 C data_G73 _cell_length_a 4.36253 _cell_length_b 5.05095 _cell_length_c 4.36936 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G73 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.18072 0.36516 0.58970 Biso 1.000 C C2 1.0000 0.18072 0.86516 0.91030 Biso 1.000 C C3 1.0000 0.68072 0.13484 0.41030 Biso 1.000 C C4 1.0000 0.81928 0.13484 0.08970 Biso 1.000 C C5 1.0000 0.31928 0.13484 0.41030 Biso 1.000 C C6 1.0000 0.31928 0.86516 0.58970 Biso 1.000 C C7 1.0000 0.31928 0.36516 0.91030 Biso 1.000 C C8 1.0000 0.18072 0.13484 0.08970 Biso 1.000 C C9 1.0000 0.68072 0.86516 0.58970 Biso 1.000 C C10 1.0000 0.68072 0.36516 0.91030 Biso 1.000 C C11 1.0000 0.18072 0.63484 0.41030 Biso 1.000 C C12 1.0000 0.31928 0.63484 0.08970 Biso 1.000 C C13 1.0000 0.81928 0.63484 0.41030 Biso 1.000 C C14 1.0000 0.81928 0.36516 0.58970 Biso 1.000 C C15 1.0000 0.81928 0.86516 0.91030 Biso 1.000 C C16 1.0000 0.68072 0.63484 0.08970 Biso 1.000 C data_G76 _cell_length_a 10.2827 _cell_length_b 4.50712 _cell_length_c 4.25181 _cell_angle_alpha 90 _cell_angle_beta 89.9999 _cell_angle_gamma 90 _chemical_formula_sum G76 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.07717 0.65789 0.06704 Biso 1.000 C C2 1.0000 0.07717 0.34211 0.56704 Biso 1.000 C C3 1.0000 0.81125 0.83883 0.56486 Biso 1.000 C C4 1.0000 0.18875 0.83883 0.93514 Biso 1.000 C C5 1.0000 0.18875 0.16117 0.43514 Biso 1.000 C C6 1.0000 0.18876 0.16118 0.06486 Biso 1.000 C C7 1.0000 0.92283 0.65790 0.06704 Biso 1.000 C C8 1.0000 0.81125 0.16117 0.06486 Biso 1.000 C C9 1.0000 0.92283 0.34211 0.93296 Biso 1.000 C C10 1.0000 0.92283 0.34210 0.56704 Biso 1.000 C C11 1.0000 0.81124 0.16118 0.43514 Biso 1.000 C C12 1.0000 0.81124 0.83882 0.93514 Biso 1.000 C C13 1.0000 0.92283 0.65789 0.43296 Biso 1.000 C C14 1.0000 0.18876 0.83882 0.56486 Biso 1.000 C C15 1.0000 0.07717 0.65790 0.43296 Biso 1.000 C C16 1.0000 0.07717 0.34210 0.93296 Biso 1.000 C C17 1.0000 0.57717 0.15789 0.06704 Biso 1.000 C C18 1.0000 0.57717 0.84211 0.56704 Biso 1.000 C C19 1.0000 0.31125 0.33883 0.56486 Biso 1.000 C C20 1.0000 0.68875 0.33883 0.93514 Biso 1.000 C C21 1.0000 0.68875 0.66117 0.43514 Biso 1.000 C C22 1.0000 0.68876 0.66118 0.06486 Biso 1.000 C C23 1.0000 0.42283 0.15790 0.06704 Biso 1.000 C C24 1.0000 0.31125 0.66117 0.06486 Biso 1.000 C C25 1.0000 0.42283 0.84211 0.93296 Biso 1.000 C C26 1.0000 0.42283 0.84210 0.56704 Biso 1.000 C C27 1.0000 0.31124 0.66118 0.43514 Biso 1.000 C C28 1.0000 0.31124 0.33882 0.93514 Biso 1.000 C C29 1.0000 0.42283 0.15789 0.43296 Biso 1.000 C C30 1.0000 0.68876 0.33882 0.56486 Biso 1.000 C C31 1.0000 0.57717 0.15790 0.43296 Biso 1.000 C C32 1.0000 0.57717 0.84210 0.93296 Biso 1.000 C data_G77 _cell_length_a 9.49632 _cell_length_b 6.17067 _cell_length_c 3.38371 _cell_angle_alpha 90 _cell_angle_beta 95.5817 _cell_angle_gamma 90 _chemical_formula_sum G77 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.22905 0.93535 0.67020 Biso 1.000 C C2 1.0000 0.30910 0.20079 0.20054 Biso 1.000 C C3 1.0000 0.41900 0.22812 0.89790 Biso 1.000 C C4 1.0000 0.37245 0.05205 0.57428 Biso 1.000 C C5 1.0000 0.58100 0.22812 0.10210 Biso 1.000 C C6 1.0000 0.12755 0.55205 0.42572 Biso 1.000 C C7 1.0000 0.31836 0.59250 0.00379 Biso 1.000 C C8 1.0000 0.27095 0.43535 0.32980 Biso 1.000 C C9 1.0000 0.95249 0.22288 0.17293 Biso 1.000 C C10 1.0000 0.38064 0.44937 0.68626 Biso 1.000 C C11 1.0000 0.11936 0.94937 0.31374 Biso 1.000 C C12 1.0000 0.18164 0.09250 0.99621 Biso 1.000 C C13 1.0000 0.00000 0.41034 0.50000 Biso 1.000 C C14 1.0000 0.69090 0.20079 0.79946 Biso 1.000 C C15 1.0000 0.04751 0.22288 0.82707 Biso 1.000 C C16 1.0000 0.00000 0.06299 0.50000 Biso 1.000 C C17 1.0000 0.72905 0.43535 0.67020 Biso 1.000 C C18 1.0000 0.80910 0.70079 0.20054 Biso 1.000 C C19 1.0000 0.91900 0.72812 0.89790 Biso 1.000 C C20 1.0000 0.87245 0.55205 0.57428 Biso 1.000 C C21 1.0000 0.08100 0.72812 0.10210 Biso 1.000 C C22 1.0000 0.62755 0.05205 0.42572 Biso 1.000 C C23 1.0000 0.81836 0.09250 0.00379 Biso 1.000 C C24 1.0000 0.77095 0.93535 0.32980 Biso 1.000 C C25 1.0000 0.45249 0.72288 0.17293 Biso 1.000 C C26 1.0000 0.88064 0.94937 0.68626 Biso 1.000 C C27 1.0000 0.61936 0.44937 0.31374 Biso 1.000 C C28 1.0000 0.68164 0.59250 0.99621 Biso 1.000 C C29 1.0000 0.50000 0.91034 0.50000 Biso 1.000 C C30 1.0000 0.19090 0.70079 0.79946 Biso 1.000 C C31 1.0000 0.54751 0.72288 0.82707 Biso 1.000 C C32 1.0000 0.50000 0.56299 0.50000 Biso 1.000 C data_G78 _cell_length_a 5.2663 _cell_length_b 10.6439 _cell_length_c 3.42908 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G78 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.85292 0.89694 0.31211 Biso 1.000 C C2 1.0000 0.87436 0.20211 0.34996 Biso 1.000 C C3 1.0000 0.12563 0.20211 0.15004 Biso 1.000 C C4 1.0000 0.50000 0.08204 0.25000 Biso 1.000 C C5 1.0000 0.68410 0.00000 0.50000 Biso 1.000 C C6 1.0000 0.62563 0.29789 0.84996 Biso 1.000 C C7 1.0000 0.14708 0.89694 0.18789 Biso 1.000 C C8 1.0000 0.19386 0.33181 0.97851 Biso 1.000 C C9 1.0000 0.30614 0.16819 0.47851 Biso 1.000 C C10 1.0000 0.80614 0.33181 0.52149 Biso 1.000 C C11 1.0000 0.85292 0.10306 0.68789 Biso 1.000 C C12 1.0000 0.37437 0.29789 0.65004 Biso 1.000 C C13 1.0000 0.69386 0.16819 0.02149 Biso 1.000 C C14 1.0000 0.31590 0.00000 -0.00000 Biso 1.000 C C15 1.0000 0.50000 0.91796 0.75000 Biso 1.000 C C16 1.0000 0.14708 0.10306 0.81211 Biso 1.000 C C17 1.0000 0.35292 0.39694 0.31211 Biso 1.000 C C18 1.0000 0.37437 0.70211 0.34996 Biso 1.000 C C19 1.0000 0.62563 0.70211 0.15004 Biso 1.000 C C20 1.0000 -0.00000 0.58204 0.25000 Biso 1.000 C C21 1.0000 0.18410 0.50000 0.50000 Biso 1.000 C C22 1.0000 0.12563 0.79789 0.84996 Biso 1.000 C C23 1.0000 0.64708 0.39694 0.18789 Biso 1.000 C C24 1.0000 0.69386 0.83181 0.97851 Biso 1.000 C C25 1.0000 0.80614 0.66819 0.47851 Biso 1.000 C C26 1.0000 0.30614 0.83181 0.52149 Biso 1.000 C C27 1.0000 0.35292 0.60306 0.68789 Biso 1.000 C C28 1.0000 0.87436 0.79789 0.65004 Biso 1.000 C C29 1.0000 0.19386 0.66819 0.02149 Biso 1.000 C C30 1.0000 0.81590 0.50000 -0.00000 Biso 1.000 C C31 1.0000 -0.00000 0.41796 0.75000 Biso 1.000 C C32 1.0000 0.64708 0.60306 0.81211 Biso 1.000 C data_G79 _cell_length_a 16.8155 _cell_length_b 2.50869 _cell_length_c 4.3454 _cell_angle_alpha 90 _cell_angle_beta 90.3735 _cell_angle_gamma 90 _chemical_formula_sum G79 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.27054 0.38707 0.93267 Biso 1.000 C C2 1.0000 0.60520 0.73961 0.16906 Biso 1.000 C C3 1.0000 0.39018 0.20578 0.33184 Biso 1.000 C C4 1.0000 0.22958 0.04566 0.43234 Biso 1.000 C C5 1.0000 0.36100 0.68493 0.50441 Biso 1.000 C C6 1.0000 0.63900 0.68493 0.49559 Biso 1.000 C C7 1.0000 0.27042 0.54566 0.56766 Biso 1.000 C C8 1.0000 0.63816 0.25921 0.00637 Biso 1.000 C C9 1.0000 0.36184 0.25921 0.99363 Biso 1.000 C C10 1.0000 0.60982 0.20578 0.66816 Biso 1.000 C C11 1.0000 0.48565 0.72711 0.83272 Biso 1.000 C C12 1.0000 0.51640 0.21784 0.66669 Biso 1.000 C C13 1.0000 0.39480 0.73961 0.83094 Biso 1.000 C C14 1.0000 0.48360 0.21784 0.33331 Biso 1.000 C C15 1.0000 0.22946 0.88707 0.06733 Biso 1.000 C C16 1.0000 0.51435 0.72711 0.16728 Biso 1.000 C C17 1.0000 0.77054 0.88707 0.93267 Biso 1.000 C C18 1.0000 0.10520 0.23960 0.16906 Biso 1.000 C C19 1.0000 0.89018 0.70578 0.33184 Biso 1.000 C C20 1.0000 0.72958 0.54566 0.43234 Biso 1.000 C C21 1.0000 0.86100 0.18493 0.50441 Biso 1.000 C C22 1.0000 0.13900 0.18493 0.49559 Biso 1.000 C C23 1.0000 0.77042 0.04566 0.56766 Biso 1.000 C C24 1.0000 0.13816 0.75921 0.00637 Biso 1.000 C C25 1.0000 0.86184 0.75921 0.99363 Biso 1.000 C C26 1.0000 0.10982 0.70578 0.66816 Biso 1.000 C C27 1.0000 0.98565 0.22711 0.83272 Biso 1.000 C C28 1.0000 0.01640 0.71784 0.66669 Biso 1.000 C C29 1.0000 0.89480 0.23960 0.83094 Biso 1.000 C C30 1.0000 0.98360 0.71784 0.33331 Biso 1.000 C C31 1.0000 0.72946 0.38707 0.06733 Biso 1.000 C C32 1.0000 0.01435 0.22711 0.16728 Biso 1.000 C data_G80 _cell_length_a 4.51791 _cell_length_b 4.51791 _cell_length_c 9.32949 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G80 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.02788 0.67269 0.92648 Biso 1.000 C C2 1.0000 0.32731 0.02788 0.07352 Biso 1.000 C C3 1.0000 0.97212 0.32731 0.92648 Biso 1.000 C C4 1.0000 0.47212 0.32731 0.82352 Biso 1.000 C C5 1.0000 0.26271 0.15111 0.91963 Biso 1.000 C C6 1.0000 0.15111 0.73729 0.08037 Biso 1.000 C C7 1.0000 0.17269 0.97212 0.67648 Biso 1.000 C C8 1.0000 0.52788 0.67269 0.82352 Biso 1.000 C C9 1.0000 0.23729 0.84889 0.83037 Biso 1.000 C C10 1.0000 0.73729 0.84889 0.91963 Biso 1.000 C C11 1.0000 0.84889 0.26271 0.08037 Biso 1.000 C C12 1.0000 0.65111 0.73729 0.66963 Biso 1.000 C C13 1.0000 0.76271 0.15111 0.83037 Biso 1.000 C C14 1.0000 0.82731 0.02788 0.67648 Biso 1.000 C C15 1.0000 0.67269 0.97212 0.07352 Biso 1.000 C C16 1.0000 0.34889 0.26271 0.66963 Biso 1.000 C C17 1.0000 0.52788 0.17269 0.42648 Biso 1.000 C C18 1.0000 0.82731 0.52788 0.57352 Biso 1.000 C C19 1.0000 0.47212 0.82731 0.42648 Biso 1.000 C C20 1.0000 0.97212 0.82731 0.32352 Biso 1.000 C C21 1.0000 0.76271 0.65111 0.41963 Biso 1.000 C C22 1.0000 0.65111 0.23729 0.58037 Biso 1.000 C C23 1.0000 0.67269 0.47212 0.17648 Biso 1.000 C C24 1.0000 0.02788 0.17269 0.32352 Biso 1.000 C C25 1.0000 0.73729 0.34889 0.33037 Biso 1.000 C C26 1.0000 0.23729 0.34889 0.41963 Biso 1.000 C C27 1.0000 0.34889 0.76271 0.58037 Biso 1.000 C C28 1.0000 0.15111 0.23729 0.16963 Biso 1.000 C C29 1.0000 0.26271 0.65111 0.33037 Biso 1.000 C C30 1.0000 0.32731 0.52788 0.17648 Biso 1.000 C C31 1.0000 0.17269 0.47212 0.57352 Biso 1.000 C C32 1.0000 0.84889 0.76271 0.16963 Biso 1.000 C data_G81 _cell_length_a 2.50528 _cell_length_b 4.33899 _cell_length_c 8.4587 _cell_angle_alpha 94.8987 _cell_angle_beta 90.1712 _cell_angle_gamma 89.9994 _chemical_formula_sum G81 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.24101 0.98607 0.52543 Biso 1.000 C C2 1.0000 0.27041 0.70608 0.83340 Biso 1.000 C C3 1.0000 0.30022 0.33293 0.58116 Biso 1.000 C C4 1.0000 0.26411 0.73887 0.02262 Biso 1.000 C C5 1.0000 0.95549 0.53385 0.34161 Biso 1.000 C C6 1.0000 0.81837 0.49640 0.52277 Biso 1.000 C C7 1.0000 0.32458 0.41201 0.07911 Biso 1.000 C C8 1.0000 0.11200 0.89906 0.34398 Biso 1.000 C C9 1.0000 0.60933 0.02059 0.26222 Biso 1.000 C C10 1.0000 0.80669 0.23859 0.01283 Biso 1.000 C C11 1.0000 0.74588 0.92287 0.08095 Biso 1.000 C C12 1.0000 0.75905 0.83330 0.59087 Biso 1.000 C C13 1.0000 0.29491 0.36316 0.76737 Biso 1.000 C C14 1.0000 0.79547 0.20708 0.82927 Biso 1.000 C C15 1.0000 0.76964 0.86288 0.77202 Biso 1.000 C C16 1.0000 0.45286 0.38509 0.25993 Biso 1.000 C data_G82 _cell_length_a 5.4821 _cell_length_b 4.35939 _cell_length_c 4.25407 _cell_angle_alpha 90 _cell_angle_beta 112.83 _cell_angle_gamma 90 _chemical_formula_sum G82 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.62480 0.91600 0.62590 Biso 1.000 C C2 1.0000 0.62479 0.58400 0.49891 Biso 1.000 C C3 1.0000 0.13438 0.58852 0.25033 Biso 1.000 C C4 1.0000 0.37520 0.41600 0.87410 Biso 1.000 C C5 1.0000 0.62479 0.91600 0.99891 Biso 1.000 C C6 1.0000 0.62480 0.58400 0.12590 Biso 1.000 C C7 1.0000 0.37520 0.08400 0.37410 Biso 1.000 C C8 1.0000 0.13438 0.91149 0.38403 Biso 1.000 C C9 1.0000 0.13438 0.58851 0.88403 Biso 1.000 C C10 1.0000 0.37521 0.08399 0.00109 Biso 1.000 C C11 1.0000 0.86562 0.41148 0.74967 Biso 1.000 C C12 1.0000 0.13438 0.91148 0.75033 Biso 1.000 C C13 1.0000 0.37521 0.41601 0.50109 Biso 1.000 C C14 1.0000 0.86562 0.41149 0.11597 Biso 1.000 C C15 1.0000 0.86562 0.08852 0.24967 Biso 1.000 C C16 1.0000 0.86562 0.08851 0.61597 Biso 1.000 C data_G83 _cell_length_a 9.67084 _cell_length_b 4.26977 _cell_length_c 4.83668 _cell_angle_alpha 90 _cell_angle_beta 104.017 _cell_angle_gamma 90 _chemical_formula_sum G83 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.55004 0.68168 0.39976 Biso 1.000 C C2 1.0000 0.68913 0.68610 0.87703 Biso 1.000 C C3 1.0000 0.94996 0.18168 0.60024 Biso 1.000 C C4 1.0000 0.81087 0.18610 0.12297 Biso 1.000 C C5 1.0000 0.80912 0.31506 0.43611 Biso 1.000 C C6 1.0000 0.53535 0.18252 0.87286 Biso 1.000 C C7 1.0000 0.69088 0.18494 0.56389 Biso 1.000 C C8 1.0000 0.80912 0.68494 0.43611 Biso 1.000 C C9 1.0000 0.68913 0.31390 0.87703 Biso 1.000 C C10 1.0000 0.53535 0.81748 0.87286 Biso 1.000 C C11 1.0000 0.81087 0.81390 0.12297 Biso 1.000 C C12 1.0000 0.94996 0.81832 0.60024 Biso 1.000 C C13 1.0000 0.55004 0.31832 0.39976 Biso 1.000 C C14 1.0000 0.46465 0.18252 0.12714 Biso 1.000 C C15 1.0000 0.46465 0.81748 0.12714 Biso 1.000 C C16 1.0000 0.69088 0.81506 0.56389 Biso 1.000 C C17 1.0000 0.05004 0.18168 0.39976 Biso 1.000 C C18 1.0000 0.18913 0.18610 0.87703 Biso 1.000 C C19 1.0000 0.44996 0.68168 0.60024 Biso 1.000 C C20 1.0000 0.31087 0.68610 0.12297 Biso 1.000 C C21 1.0000 0.30912 0.81506 0.43611 Biso 1.000 C C22 1.0000 0.03535 0.68252 0.87286 Biso 1.000 C C23 1.0000 0.19088 0.68494 0.56389 Biso 1.000 C C24 1.0000 0.30912 0.18494 0.43611 Biso 1.000 C C25 1.0000 0.18913 0.81390 0.87703 Biso 1.000 C C26 1.0000 0.03535 0.31748 0.87286 Biso 1.000 C C27 1.0000 0.31087 0.31390 0.12297 Biso 1.000 C C28 1.0000 0.44996 0.31832 0.60024 Biso 1.000 C C29 1.0000 0.05004 0.81832 0.39976 Biso 1.000 C C30 1.0000 0.96465 0.68252 0.12714 Biso 1.000 C C31 1.0000 0.96465 0.31748 0.12714 Biso 1.000 C C32 1.0000 0.19088 0.31506 0.56389 Biso 1.000 C data_G84 _cell_length_a 8.13294 _cell_length_b 9.07732 _cell_length_c 5.05667 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G84 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.09666 0.18774 0.91290 Biso 1.000 C C2 1.0000 0.44426 0.79223 0.89720 Biso 1.000 C C3 1.0000 0.55574 0.20777 0.89720 Biso 1.000 C C4 1.0000 0.16286 0.76436 0.67164 Biso 1.000 C C5 1.0000 0.55939 0.93947 0.88864 Biso 1.000 C C6 1.0000 0.33714 0.23564 0.17164 Biso 1.000 C C7 1.0000 0.69061 0.18947 0.13864 Biso 1.000 C C8 1.0000 0.15334 0.93774 0.66290 Biso 1.000 C C9 1.0000 0.34666 0.06226 0.16290 Biso 1.000 C C10 1.0000 0.69426 0.95777 0.64720 Biso 1.000 C C11 1.0000 0.44061 0.06053 0.88864 Biso 1.000 C C12 1.0000 0.08714 0.01436 0.92164 Biso 1.000 C C13 1.0000 0.40334 0.81226 0.41290 Biso 1.000 C C14 1.0000 0.80939 0.81053 0.63864 Biso 1.000 C C15 1.0000 0.41286 0.98564 0.42164 Biso 1.000 C C16 1.0000 0.30574 0.04223 0.64720 Biso 1.000 C C17 1.0000 0.09666 0.68774 0.41290 Biso 1.000 C C18 1.0000 0.44426 0.29223 0.39720 Biso 1.000 C C19 1.0000 0.55574 0.70777 0.39720 Biso 1.000 C C20 1.0000 0.16286 0.26436 0.17164 Biso 1.000 C C21 1.0000 0.55939 0.43947 0.38864 Biso 1.000 C C22 1.0000 0.33714 0.73564 0.67164 Biso 1.000 C C23 1.0000 0.69061 0.68947 0.63864 Biso 1.000 C C24 1.0000 0.15334 0.43774 0.16290 Biso 1.000 C C25 1.0000 0.34666 0.56226 0.66290 Biso 1.000 C C26 1.0000 0.69426 0.45777 0.14720 Biso 1.000 C C27 1.0000 0.44061 0.56053 0.38864 Biso 1.000 C C28 1.0000 0.08714 0.51436 0.42164 Biso 1.000 C C29 1.0000 0.40334 0.31226 0.91290 Biso 1.000 C C30 1.0000 0.80939 0.31053 0.13864 Biso 1.000 C C31 1.0000 0.41286 0.48564 0.92164 Biso 1.000 C C32 1.0000 0.30574 0.54223 0.14720 Biso 1.000 C C33 1.0000 0.59666 0.18774 0.41290 Biso 1.000 C C34 1.0000 0.94426 0.79223 0.39720 Biso 1.000 C C35 1.0000 0.05574 0.20777 0.39720 Biso 1.000 C C36 1.0000 0.66286 0.76436 0.17164 Biso 1.000 C C37 1.0000 0.05939 0.93947 0.38864 Biso 1.000 C C38 1.0000 0.83714 0.23564 0.67164 Biso 1.000 C C39 1.0000 0.19061 0.18947 0.63864 Biso 1.000 C C40 1.0000 0.65334 0.93774 0.16290 Biso 1.000 C C41 1.0000 0.84666 0.06226 0.66290 Biso 1.000 C C42 1.0000 0.19426 0.95777 0.14720 Biso 1.000 C C43 1.0000 0.94061 0.06053 0.38864 Biso 1.000 C C44 1.0000 0.58714 0.01436 0.42164 Biso 1.000 C C45 1.0000 0.90334 0.81226 0.91290 Biso 1.000 C C46 1.0000 0.30939 0.81053 0.13864 Biso 1.000 C C47 1.0000 0.91286 0.98564 0.92164 Biso 1.000 C C48 1.0000 0.80574 0.04223 0.14720 Biso 1.000 C C49 1.0000 0.59666 0.68774 0.91290 Biso 1.000 C C50 1.0000 0.94426 0.29223 0.89720 Biso 1.000 C C51 1.0000 0.05574 0.70777 0.89720 Biso 1.000 C C52 1.0000 0.66286 0.26436 0.67164 Biso 1.000 C C53 1.0000 0.05939 0.43947 0.88864 Biso 1.000 C C54 1.0000 0.83714 0.73564 0.17164 Biso 1.000 C C55 1.0000 0.19061 0.68947 0.13864 Biso 1.000 C C56 1.0000 0.65334 0.43774 0.66290 Biso 1.000 C C57 1.0000 0.84666 0.56226 0.16290 Biso 1.000 C C58 1.0000 0.19426 0.45777 0.64720 Biso 1.000 C C59 1.0000 0.94061 0.56053 0.88864 Biso 1.000 C C60 1.0000 0.58714 0.51436 0.92164 Biso 1.000 C C61 1.0000 0.90334 0.31226 0.41290 Biso 1.000 C C62 1.0000 0.30939 0.31053 0.63864 Biso 1.000 C C63 1.0000 0.91286 0.48564 0.42164 Biso 1.000 C C64 1.0000 0.80574 0.54223 0.64720 Biso 1.000 C data_G85 _cell_length_a 3.37059 _cell_length_b 4.48422 _cell_length_c 6.54057 _cell_angle_alpha 91.9873 _cell_angle_beta 93.914 _cell_angle_gamma 103.589 _chemical_formula_sum G85 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.72667 0.08776 0.00227 Biso 1.000 C C2 1.0000 0.68708 0.74529 0.69250 Biso 1.000 C C3 1.0000 0.77606 0.79987 0.31116 Biso 1.000 C C4 1.0000 0.38662 0.92250 0.58466 Biso 1.000 C C5 1.0000 0.51719 0.52039 0.17953 Biso 1.000 C C6 1.0000 0.96555 0.99200 0.83127 Biso 1.000 C C7 1.0000 0.02688 0.32251 0.48848 Biso 1.000 C C8 1.0000 0.31292 0.25471 0.30750 Biso 1.000 C C9 1.0000 0.97312 0.67749 0.51152 Biso 1.000 C C10 1.0000 0.61338 0.07750 0.41534 Biso 1.000 C C11 1.0000 0.22394 0.20013 0.68884 Biso 1.000 C C12 1.0000 0.77421 0.41972 0.00219 Biso 1.000 C C13 1.0000 0.22579 0.58028 0.99781 Biso 1.000 C C14 1.0000 0.48281 0.47961 0.82047 Biso 1.000 C C15 1.0000 0.27333 0.91224 0.99773 Biso 1.000 C C16 1.0000 0.03445 0.00800 0.16873 Biso 1.000 C data_G86 _cell_length_a 6.90923 _cell_length_b 10.6136 _cell_length_c 2.50884 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G86 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.54156 0.25000 Biso 1.000 C C2 1.0000 0.80356 0.62295 0.54589 Biso 1.000 C C3 1.0000 0.50000 0.45844 0.75000 Biso 1.000 C C4 1.0000 0.69644 0.12295 0.95411 Biso 1.000 C C5 1.0000 0.43535 0.76082 0.48386 Biso 1.000 C C6 1.0000 0.32702 0.36674 0.57298 Biso 1.000 C C7 1.0000 0.56465 0.23918 0.98386 Biso 1.000 C C8 1.0000 0.80356 0.37705 0.45411 Biso 1.000 C C9 1.0000 0.32702 0.63326 0.42702 Biso 1.000 C C10 1.0000 0.56723 0.00000 -0.00000 Biso 1.000 C C11 1.0000 0.43535 0.23918 0.51614 Biso 1.000 C C12 1.0000 0.67298 0.63326 0.07298 Biso 1.000 C C13 1.0000 0.56465 0.76082 0.01614 Biso 1.000 C C14 1.0000 0.67298 0.36674 0.92702 Biso 1.000 C C15 1.0000 0.93277 0.50000 0.50000 Biso 1.000 C C16 1.0000 0.19644 0.37705 0.04589 Biso 1.000 C C17 1.0000 0.00000 0.04156 0.25000 Biso 1.000 C C18 1.0000 0.30356 0.12295 0.54589 Biso 1.000 C C19 1.0000 0.00000 0.95844 0.75000 Biso 1.000 C C20 1.0000 0.19644 0.62295 0.95411 Biso 1.000 C C21 1.0000 0.93535 0.26082 0.48386 Biso 1.000 C C22 1.0000 0.82702 0.86674 0.57298 Biso 1.000 C C23 1.0000 0.06465 0.73918 0.98386 Biso 1.000 C C24 1.0000 0.30356 0.87705 0.45411 Biso 1.000 C C25 1.0000 0.82702 0.13326 0.42702 Biso 1.000 C C26 1.0000 0.06723 0.50000 0.00000 Biso 1.000 C C27 1.0000 0.93535 0.73918 0.51614 Biso 1.000 C C28 1.0000 0.17298 0.13326 0.07298 Biso 1.000 C C29 1.0000 0.06465 0.26082 0.01614 Biso 1.000 C C30 1.0000 0.17298 0.86674 0.92702 Biso 1.000 C C31 1.0000 0.43277 0.00000 0.50000 Biso 1.000 C C32 1.0000 0.69644 0.87705 0.04589 Biso 1.000 C data_G87 _cell_length_a 3.83633 _cell_length_b 4.27843 _cell_length_c 5.74971 _cell_angle_alpha 90 _cell_angle_beta 94.7023 _cell_angle_gamma 90 _chemical_formula_sum G87 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.57183 0.05208 0.62247 Biso 1.000 C C2 1.0000 0.04211 0.09508 0.39319 Biso 1.000 C C3 1.0000 0.41896 0.92292 0.38291 Biso 1.000 C C4 1.0000 0.58104 0.42292 0.61709 Biso 1.000 C C5 1.0000 0.89988 0.53588 0.11337 Biso 1.000 C C6 1.0000 0.55487 0.37550 0.15885 Biso 1.000 C C7 1.0000 0.20651 0.36868 0.97846 Biso 1.000 C C8 1.0000 0.93343 0.96282 0.62574 Biso 1.000 C C9 1.0000 0.42817 0.55208 0.37753 Biso 1.000 C C10 1.0000 0.95788 0.59508 0.60681 Biso 1.000 C C11 1.0000 0.06657 0.46282 0.37426 Biso 1.000 C C12 1.0000 0.44513 0.87550 0.84115 Biso 1.000 C C13 1.0000 0.69312 0.05251 0.23028 Biso 1.000 C C14 1.0000 0.79349 0.86868 0.02154 Biso 1.000 C C15 1.0000 0.30688 0.55251 0.76972 Biso 1.000 C C16 1.0000 0.10012 0.03588 0.88663 Biso 1.000 C data_G88 _cell_length_a 4.25493 _cell_length_b 6.00488 _cell_length_c 7.57387 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G88 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.68400 0.27815 0.34121 Biso 1.000 C C2 1.0000 0.68568 0.63212 -0.00000 Biso 1.000 C C3 1.0000 0.31432 0.36788 -0.00000 Biso 1.000 C C4 1.0000 0.81600 0.22185 0.84121 Biso 1.000 C C5 1.0000 0.81650 0.50000 0.60076 Biso 1.000 C C6 1.0000 0.18400 0.22185 0.84121 Biso 1.000 C C7 1.0000 0.68568 0.36788 -0.00000 Biso 1.000 C C8 1.0000 0.18400 0.22185 0.15879 Biso 1.000 C C9 1.0000 0.81650 0.50000 0.39924 Biso 1.000 C C10 1.0000 0.31600 0.27815 0.34121 Biso 1.000 C C11 1.0000 0.81600 0.77815 0.15879 Biso 1.000 C C12 1.0000 0.18400 0.77815 0.15879 Biso 1.000 C C13 1.0000 0.18350 0.50000 0.39924 Biso 1.000 C C14 1.0000 0.18350 0.50000 0.60076 Biso 1.000 C C15 1.0000 0.81600 0.22185 0.15879 Biso 1.000 C C16 1.0000 0.31432 0.63212 -0.00000 Biso 1.000 C C17 1.0000 0.18400 0.77815 0.84121 Biso 1.000 C C18 1.0000 0.18568 0.13212 0.50000 Biso 1.000 C C19 1.0000 0.81432 0.86788 0.50000 Biso 1.000 C C20 1.0000 0.31600 0.72185 0.34121 Biso 1.000 C C21 1.0000 0.31650 0.00000 0.10076 Biso 1.000 C C22 1.0000 0.68400 0.72185 0.34121 Biso 1.000 C C23 1.0000 0.18568 0.86788 0.50000 Biso 1.000 C C24 1.0000 0.68400 0.72185 0.65879 Biso 1.000 C C25 1.0000 0.31650 -0.00000 0.89924 Biso 1.000 C C26 1.0000 0.81600 0.77815 0.84121 Biso 1.000 C C27 1.0000 0.31600 0.27815 0.65879 Biso 1.000 C C28 1.0000 0.68400 0.27815 0.65879 Biso 1.000 C C29 1.0000 0.68350 -0.00000 0.89924 Biso 1.000 C C30 1.0000 0.68350 0.00000 0.10076 Biso 1.000 C C31 1.0000 0.31600 0.72185 0.65879 Biso 1.000 C C32 1.0000 0.81432 0.13212 0.50000 Biso 1.000 C data_G89 _cell_length_a 3.44578 _cell_length_b 4.59293 _cell_length_c 6.40612 _cell_angle_alpha 82.7871 _cell_angle_beta 86.6839 _cell_angle_gamma 69.357 _chemical_formula_sum G89 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.44187 0.84899 0.47689 Biso 1.000 C C2 1.0000 0.84029 0.57137 0.40755 Biso 1.000 C C3 1.0000 0.77636 0.27739 0.33762 Biso 1.000 C C4 1.0000 0.16280 0.56565 0.04610 Biso 1.000 C C5 1.0000 0.57200 0.31879 0.12804 Biso 1.000 C C6 1.0000 0.04980 0.22965 0.78884 Biso 1.000 C C7 1.0000 0.83720 0.43435 0.95390 Biso 1.000 C C8 1.0000 0.17881 0.97897 0.28161 Biso 1.000 C C9 1.0000 0.42800 0.68121 0.87196 Biso 1.000 C C10 1.0000 0.22364 0.72261 0.66238 Biso 1.000 C C11 1.0000 0.53147 0.01147 0.11618 Biso 1.000 C C12 1.0000 0.46853 0.98853 0.88382 Biso 1.000 C C13 1.0000 0.15971 0.42863 0.59245 Biso 1.000 C C14 1.0000 0.82119 0.02103 0.71839 Biso 1.000 C C15 1.0000 0.55813 0.15101 0.52311 Biso 1.000 C C16 1.0000 0.95020 0.77035 0.21116 Biso 1.000 C data_G90 _cell_length_a 6.23757 _cell_length_b 12.0914 _cell_length_c 2.50606 _cell_angle_alpha 90 _cell_angle_beta 101.079 _cell_angle_gamma 90 _chemical_formula_sum G90 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.42355 0.62271 0.94661 Biso 1.000 C C2 1.0000 0.31772 0.74160 0.78507 Biso 1.000 C C3 1.0000 0.07645 0.87729 0.05339 Biso 1.000 C C4 1.0000 0.72301 0.03672 0.86960 Biso 1.000 C C5 1.0000 0.57645 0.62271 0.55339 Biso 1.000 C C6 1.0000 0.92355 0.87729 0.44661 Biso 1.000 C C7 1.0000 0.72302 0.96328 0.36960 Biso 1.000 C C8 1.0000 1.00000 0.60382 0.75000 Biso 1.000 C C9 1.0000 0.27699 0.03672 0.63040 Biso 1.000 C C10 1.0000 0.81772 0.75840 0.28507 Biso 1.000 C C11 1.0000 0.18228 0.75840 0.21493 Biso 1.000 C C12 1.0000 0.50000 0.82325 0.75000 Biso 1.000 C C13 1.0000 1.00000 0.67675 0.25000 Biso 1.000 C C14 1.0000 0.27699 0.96328 0.13040 Biso 1.000 C C15 1.0000 0.50000 0.89618 0.25000 Biso 1.000 C C16 1.0000 0.68228 0.74160 0.71493 Biso 1.000 C C17 1.0000 0.92355 0.12271 0.94661 Biso 1.000 C C18 1.0000 0.81772 0.24160 0.78507 Biso 1.000 C C19 1.0000 0.57645 0.37729 0.05339 Biso 1.000 C C20 1.0000 0.22301 0.53672 0.86960 Biso 1.000 C C21 1.0000 0.07645 0.12271 0.55339 Biso 1.000 C C22 1.0000 0.42355 0.37729 0.44661 Biso 1.000 C C23 1.0000 0.22301 0.46328 0.36960 Biso 1.000 C C24 1.0000 0.50000 0.10382 0.75000 Biso 1.000 C C25 1.0000 0.77699 0.53672 0.63040 Biso 1.000 C C26 1.0000 0.31772 0.25840 0.28507 Biso 1.000 C C27 1.0000 0.68228 0.25840 0.21493 Biso 1.000 C C28 1.0000 1.00000 0.32325 0.75000 Biso 1.000 C C29 1.0000 0.50000 0.17675 0.25000 Biso 1.000 C C30 1.0000 0.77699 0.46328 0.13040 Biso 1.000 C C31 1.0000 1.00000 0.39618 0.25000 Biso 1.000 C C32 1.0000 0.18228 0.24160 0.71493 Biso 1.000 C data_G91 _cell_length_a 9.10014 _cell_length_b 4.45132 _cell_length_c 4.8075 _cell_angle_alpha 90 _cell_angle_beta 94.3963 _cell_angle_gamma 90 _chemical_formula_sum G91 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.93378 0.05400 0.73396 Biso 1.000 C C2 1.0000 0.07890 0.88712 0.78018 Biso 1.000 C C3 1.0000 0.96047 0.56195 0.14012 Biso 1.000 C C4 1.0000 0.83285 0.05380 0.98266 Biso 1.000 C C5 1.0000 0.03953 0.56195 0.85988 Biso 1.000 C C6 1.0000 0.83475 0.96543 0.47828 Biso 1.000 C C7 1.0000 0.95097 0.36828 0.61950 Biso 1.000 C C8 1.0000 0.81275 0.37784 0.12282 Biso 1.000 C C9 1.0000 0.16715 0.05380 0.01734 Biso 1.000 C C10 1.0000 0.79997 0.30928 0.43877 Biso 1.000 C C11 1.0000 0.04903 0.36828 0.38051 Biso 1.000 C C12 1.0000 0.92110 0.88712 0.21982 Biso 1.000 C C13 1.0000 0.20003 0.30928 0.56123 Biso 1.000 C C14 1.0000 0.06622 0.05400 0.26604 Biso 1.000 C C15 1.0000 0.18725 0.37784 0.87718 Biso 1.000 C C16 1.0000 0.16525 0.96543 0.52172 Biso 1.000 C C17 1.0000 0.43378 0.55400 0.73396 Biso 1.000 C C18 1.0000 0.57890 0.38712 0.78018 Biso 1.000 C C19 1.0000 0.46047 0.06195 0.14012 Biso 1.000 C C20 1.0000 0.33285 0.55380 0.98266 Biso 1.000 C C21 1.0000 0.53953 0.06195 0.85988 Biso 1.000 C C22 1.0000 0.33475 0.46543 0.47828 Biso 1.000 C C23 1.0000 0.45097 0.86828 0.61949 Biso 1.000 C C24 1.0000 0.31275 0.87784 0.12282 Biso 1.000 C C25 1.0000 0.66715 0.55380 0.01734 Biso 1.000 C C26 1.0000 0.29997 0.80928 0.43877 Biso 1.000 C C27 1.0000 0.54903 0.86828 0.38051 Biso 1.000 C C28 1.0000 0.42110 0.38712 0.21982 Biso 1.000 C C29 1.0000 0.70003 0.80928 0.56123 Biso 1.000 C C30 1.0000 0.56622 0.55400 0.26604 Biso 1.000 C C31 1.0000 0.68725 0.87784 0.87718 Biso 1.000 C C32 1.0000 0.66525 0.46543 0.52172 Biso 1.000 C data_G92 _cell_length_a 4.24528 _cell_length_b 2.50236 _cell_length_c 8.65471 _cell_angle_alpha 90 _cell_angle_beta 95.2386 _cell_angle_gamma 90 _chemical_formula_sum G92 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.57057 0.43944 0.54216 Biso 1.000 C C2 1.0000 0.61942 0.96487 0.79412 Biso 1.000 C C3 1.0000 0.92395 0.25157 0.03307 Biso 1.000 C C4 1.0000 0.52509 0.94967 0.28887 Biso 1.000 C C5 1.0000 0.01200 0.38296 0.20736 Biso 1.000 C C6 1.0000 0.07605 0.75158 0.96693 Biso 1.000 C C7 1.0000 0.94518 0.40795 0.54202 Biso 1.000 C C8 1.0000 0.42943 0.93944 0.45784 Biso 1.000 C C9 1.0000 0.58425 0.10757 0.97325 Biso 1.000 C C10 1.0000 0.89704 0.89856 0.28960 Biso 1.000 C C11 1.0000 0.05482 0.90795 0.45798 Biso 1.000 C C12 1.0000 0.47491 0.44967 0.71113 Biso 1.000 C C13 1.0000 0.10296 0.39857 0.71040 Biso 1.000 C C14 1.0000 0.41575 0.60757 0.02675 Biso 1.000 C C15 1.0000 0.38058 0.46487 0.20588 Biso 1.000 C C16 1.0000 0.98800 0.88296 0.79264 Biso 1.000 C data_G93 _cell_length_a 13.2606 _cell_length_b 2.52541 _cell_length_c 5.73254 _cell_angle_alpha 90 _cell_angle_beta 90.0023 _cell_angle_gamma 90 _chemical_formula_sum G93 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.78290 0.00000 0.23842 Biso 1.000 C C2 1.0000 0.78289 0.00000 0.76157 Biso 1.000 C C3 1.0000 0.66674 0.50000 1.00000 Biso 1.000 C C4 1.0000 0.44162 0.00000 0.25539 Biso 1.000 C C5 1.0000 0.39010 0.50000 0.63431 Biso 1.000 C C6 1.0000 0.39010 0.50000 0.36569 Biso 1.000 C C7 1.0000 0.83326 0.00000 0.00000 Biso 1.000 C C8 1.0000 0.55838 0.00000 0.25539 Biso 1.000 C C9 1.0000 0.55838 0.00000 0.74461 Biso 1.000 C C10 1.0000 0.39756 0.00000 0.00000 Biso 1.000 C C11 1.0000 0.60990 0.50000 0.36569 Biso 1.000 C C12 1.0000 0.44162 0.00000 0.74461 Biso 1.000 C C13 1.0000 0.60990 0.50000 0.63431 Biso 1.000 C C14 1.0000 0.71710 0.50000 0.76158 Biso 1.000 C C15 1.0000 0.60244 0.00000 1.00000 Biso 1.000 C C16 1.0000 0.71711 0.50000 0.23843 Biso 1.000 C C17 1.0000 0.28290 0.50000 0.23842 Biso 1.000 C C18 1.0000 0.28289 0.50000 0.76157 Biso 1.000 C C19 1.0000 0.16674 0.00000 1.00000 Biso 1.000 C C20 1.0000 0.94162 0.50000 0.25539 Biso 1.000 C C21 1.0000 0.89010 0.00000 0.63431 Biso 1.000 C C22 1.0000 0.89010 0.00000 0.36569 Biso 1.000 C C23 1.0000 0.33326 0.50000 0.00000 Biso 1.000 C C24 1.0000 0.05838 0.50000 0.25539 Biso 1.000 C C25 1.0000 0.05838 0.50000 0.74461 Biso 1.000 C C26 1.0000 0.89756 0.50000 0.00000 Biso 1.000 C C27 1.0000 0.10990 0.00000 0.36569 Biso 1.000 C C28 1.0000 0.94162 0.50000 0.74461 Biso 1.000 C C29 1.0000 0.10990 0.00000 0.63431 Biso 1.000 C C30 1.0000 0.21710 0.00000 0.76158 Biso 1.000 C C31 1.0000 0.10244 0.50000 1.00000 Biso 1.000 C C32 1.0000 0.21711 0.00000 0.23843 Biso 1.000 C data_G94 _cell_length_a 15.269 _cell_length_b 2.51297 _cell_length_c 4.33085 _cell_angle_alpha 90 _cell_angle_beta 95.2605 _cell_angle_gamma 90 _chemical_formula_sum G94 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.11484 -0.00000 0.36793 Biso 1.000 C C2 1.0000 0.88516 0.00000 0.63207 Biso 1.000 C C3 1.0000 0.01462 -0.00000 0.33620 Biso 1.000 C C4 1.0000 0.01977 0.50000 0.84118 Biso 1.000 C C5 1.0000 0.15648 -0.00000 0.71023 Biso 1.000 C C6 1.0000 0.75058 0.50000 0.60758 Biso 1.000 C C7 1.0000 0.84352 0.00000 0.28977 Biso 1.000 C C8 1.0000 0.12642 0.50000 0.87521 Biso 1.000 C C9 1.0000 0.74942 0.00000 0.39242 Biso 1.000 C C10 1.0000 0.15408 0.50000 0.22526 Biso 1.000 C C11 1.0000 0.98023 0.50000 0.15882 Biso 1.000 C C12 1.0000 0.98538 0.00000 0.66380 Biso 1.000 C C13 1.0000 0.84592 0.50000 0.77474 Biso 1.000 C C14 1.0000 0.87358 0.50000 0.12479 Biso 1.000 C C15 1.0000 0.61484 0.50000 0.36793 Biso 1.000 C C16 1.0000 0.38516 0.50000 0.63207 Biso 1.000 C C17 1.0000 0.51462 0.50000 0.33620 Biso 1.000 C C18 1.0000 0.51977 -0.00000 0.84118 Biso 1.000 C C19 1.0000 0.65648 0.50000 0.71023 Biso 1.000 C C20 1.0000 0.25058 -0.00000 0.60758 Biso 1.000 C C21 1.0000 0.34352 0.50000 0.28977 Biso 1.000 C C22 1.0000 0.62642 0.00000 0.87521 Biso 1.000 C C23 1.0000 0.24942 0.50000 0.39242 Biso 1.000 C C24 1.0000 0.65408 0.00000 0.22526 Biso 1.000 C C25 1.0000 0.48023 0.00000 0.15882 Biso 1.000 C C26 1.0000 0.48538 0.50000 0.66380 Biso 1.000 C C27 1.0000 0.34592 0.00000 0.77474 Biso 1.000 C C28 1.0000 0.37358 -0.00000 0.12479 Biso 1.000 C data_G95 _cell_length_a 2.52509 _cell_length_b 15.8306 _cell_length_c 4.11757 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G95 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 -0.00000 0.66553 0.32452 Biso 1.000 C C2 1.0000 0.00000 0.70740 0.99927 Biso 1.000 C C3 1.0000 0.00000 0.07460 0.46891 Biso 1.000 C C4 1.0000 -0.00000 0.83088 0.34691 Biso 1.000 C C5 1.0000 0.00000 1.00000 0.20397 Biso 1.000 C C6 1.0000 0.50000 0.92626 0.70254 Biso 1.000 C C7 1.0000 -0.00000 0.80635 0.99935 Biso 1.000 C C8 1.0000 0.50000 0.69364 0.49935 Biso 1.000 C C9 1.0000 0.50000 1.00000 0.96684 Biso 1.000 C C10 1.0000 0.50000 0.66911 0.84691 Biso 1.000 C C11 1.0000 0.50000 0.79259 0.49927 Biso 1.000 C C12 1.0000 0.00000 0.92540 0.46891 Biso 1.000 C C13 1.0000 0.50000 0.83447 0.82452 Biso 1.000 C C14 1.0000 0.50000 0.07373 0.70254 Biso 1.000 C C15 1.0000 0.50000 0.16553 0.82452 Biso 1.000 C C16 1.0000 0.50000 0.20740 0.49927 Biso 1.000 C C17 1.0000 0.50000 0.57460 0.96891 Biso 1.000 C C18 1.0000 0.50000 0.33088 0.84691 Biso 1.000 C C19 1.0000 0.50000 0.50000 0.70397 Biso 1.000 C C20 1.0000 0.00000 0.42626 0.20254 Biso 1.000 C C21 1.0000 0.50000 0.30635 0.49935 Biso 1.000 C C22 1.0000 -0.00000 0.19364 0.99935 Biso 1.000 C C23 1.0000 0.00000 0.50000 0.46684 Biso 1.000 C C24 1.0000 -0.00000 0.16911 0.34691 Biso 1.000 C C25 1.0000 0.00000 0.29259 0.99927 Biso 1.000 C C26 1.0000 0.50000 0.42540 0.96891 Biso 1.000 C C27 1.0000 -0.00000 0.33447 0.32452 Biso 1.000 C C28 1.0000 0.00000 0.57373 0.20254 Biso 1.000 C data_G96 _cell_length_a 4.92829 _cell_length_b 4.92829 _cell_length_c 6.84788 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G96 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00000 0.00000 0.00000 Biso 1.000 C C2 1.0000 0.50000 -0.00000 0.75000 Biso 1.000 C C3 1.0000 0.30625 0.39487 0.98056 Biso 1.000 C C4 1.0000 0.69375 0.60513 0.98056 Biso 1.000 C C5 1.0000 0.12314 0.25000 0.12500 Biso 1.000 C C6 1.0000 0.60513 0.30625 0.01944 Biso 1.000 C C7 1.0000 0.19375 0.39487 0.76944 Biso 1.000 C C8 1.0000 0.10513 0.69375 0.73056 Biso 1.000 C C9 1.0000 0.89487 0.30625 0.73056 Biso 1.000 C C10 1.0000 0.87686 0.75000 0.12500 Biso 1.000 C C11 1.0000 0.75000 0.12314 0.87500 Biso 1.000 C C12 1.0000 0.89487 0.19375 0.51944 Biso 1.000 C C13 1.0000 0.75000 0.37686 0.37500 Biso 1.000 C C14 1.0000 0.30625 0.10513 0.26944 Biso 1.000 C C15 1.0000 0.50000 0.50000 0.50000 Biso 1.000 C C16 1.0000 -0.00000 0.50000 0.25000 Biso 1.000 C C17 1.0000 0.80625 0.89487 0.48056 Biso 1.000 C C18 1.0000 0.19375 0.10513 0.48056 Biso 1.000 C C19 1.0000 0.62314 0.75000 0.62500 Biso 1.000 C C20 1.0000 0.10513 0.80625 0.51944 Biso 1.000 C C21 1.0000 0.69375 0.89487 0.26944 Biso 1.000 C C22 1.0000 0.60513 0.19375 0.23056 Biso 1.000 C C23 1.0000 0.39487 0.80625 0.23056 Biso 1.000 C C24 1.0000 0.37686 0.25000 0.62500 Biso 1.000 C C25 1.0000 0.25000 0.62314 0.37500 Biso 1.000 C C26 1.0000 0.39487 0.69375 0.01944 Biso 1.000 C C27 1.0000 0.25000 0.87686 0.87500 Biso 1.000 C C28 1.0000 0.80625 0.60513 0.76944 Biso 1.000 C data_G97 _cell_length_a 7.59284 _cell_length_b 4.28199 _cell_length_c 4.36125 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G97 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.33940 0.06703 0.33837 Biso 1.000 C C2 1.0000 0.16060 0.06703 0.16163 Biso 1.000 C C3 1.0000 0.16060 0.93297 0.83837 Biso 1.000 C C4 1.0000 0.33940 0.56703 0.66163 Biso 1.000 C C5 1.0000 0.33940 0.43297 0.33837 Biso 1.000 C C6 1.0000 0.16060 0.56703 0.83837 Biso 1.000 C C7 1.0000 0.16060 0.43297 0.16163 Biso 1.000 C C8 1.0000 0.50000 0.06449 0.83492 Biso 1.000 C C9 1.0000 0.50000 0.93551 0.16508 Biso 1.000 C C10 1.0000 0.33940 0.93297 0.66163 Biso 1.000 C C11 1.0000 0.50000 0.43551 0.83492 Biso 1.000 C C12 1.0000 0.50000 0.56449 0.16508 Biso 1.000 C C13 1.0000 0.83940 0.56703 0.83837 Biso 1.000 C C14 1.0000 0.66060 0.56703 0.66163 Biso 1.000 C C15 1.0000 0.66060 0.43297 0.33837 Biso 1.000 C C16 1.0000 0.83940 0.06703 0.16163 Biso 1.000 C C17 1.0000 0.83940 0.93297 0.83837 Biso 1.000 C C18 1.0000 0.66060 0.06703 0.33837 Biso 1.000 C C19 1.0000 0.66060 0.93297 0.66163 Biso 1.000 C C20 1.0000 0.00000 0.56449 0.33492 Biso 1.000 C C21 1.0000 0.00000 0.43551 0.66508 Biso 1.000 C C22 1.0000 0.83940 0.43297 0.16163 Biso 1.000 C C23 1.0000 0.00000 0.93551 0.33492 Biso 1.000 C C24 1.0000 0.00000 0.06449 0.66508 Biso 1.000 C data_G98 _cell_length_a 2.51224 _cell_length_b 13.1521 _cell_length_c 4.29025 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G98 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.10699 0.06648 Biso 1.000 C C2 1.0000 0.00000 0.27365 0.56842 Biso 1.000 C C3 1.0000 0.00000 0.05563 0.93549 Biso 1.000 C C4 1.0000 0.50000 0.22636 0.43164 Biso 1.000 C C5 1.0000 0.50000 0.89301 0.93361 Biso 1.000 C C6 1.0000 0.50000 0.22635 0.06842 Biso 1.000 C C7 1.0000 0.50000 0.10699 0.43361 Biso 1.000 C C8 1.0000 0.50000 0.89301 0.56648 Biso 1.000 C C9 1.0000 -0.00000 0.94437 0.06463 Biso 1.000 C C10 1.0000 -0.00000 0.27364 0.93164 Biso 1.000 C C11 1.0000 0.00000 0.94437 0.43549 Biso 1.000 C C12 1.0000 -0.00000 0.05563 0.56463 Biso 1.000 C C13 1.0000 -0.00000 0.60699 0.06648 Biso 1.000 C C14 1.0000 0.50000 0.77365 0.56842 Biso 1.000 C C15 1.0000 0.50000 0.55563 0.93549 Biso 1.000 C C16 1.0000 0.00000 0.72636 0.43164 Biso 1.000 C C17 1.0000 0.00000 0.39301 0.93361 Biso 1.000 C C18 1.0000 -0.00000 0.72635 0.06842 Biso 1.000 C C19 1.0000 0.00000 0.60699 0.43361 Biso 1.000 C C20 1.0000 0.00000 0.39301 0.56648 Biso 1.000 C C21 1.0000 0.50000 0.44437 0.06463 Biso 1.000 C C22 1.0000 0.50000 0.77364 0.93164 Biso 1.000 C C23 1.0000 0.50000 0.44437 0.43549 Biso 1.000 C C24 1.0000 0.50000 0.55563 0.56463 Biso 1.000 C data_G99 _cell_length_a 3.81313 _cell_length_b 9.22496 _cell_length_c 4.26814 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G99 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.29567 0.17422 0.93450 Biso 1.000 C C2 1.0000 0.70433 0.17422 0.56550 Biso 1.000 C C3 1.0000 0.50000 0.57674 0.43317 Biso 1.000 C C4 1.0000 0.29567 0.17422 0.56550 Biso 1.000 C C5 1.0000 0.50000 0.57674 0.06683 Biso 1.000 C C6 1.0000 0.20433 0.32578 0.06550 Biso 1.000 C C7 1.0000 0.70433 0.17422 0.93450 Biso 1.000 C C8 1.0000 0.50000 0.42326 0.93317 Biso 1.000 C C9 1.0000 0.50000 0.42326 0.56683 Biso 1.000 C C10 1.0000 0.79567 0.32578 0.43450 Biso 1.000 C C11 1.0000 0.79567 0.32578 0.06550 Biso 1.000 C C12 1.0000 0.20433 0.32578 0.43450 Biso 1.000 C C13 1.0000 0.79567 0.67422 0.93450 Biso 1.000 C C14 1.0000 0.20433 0.67422 0.56550 Biso 1.000 C C15 1.0000 0.00000 0.07674 0.43317 Biso 1.000 C C16 1.0000 0.79567 0.67422 0.56550 Biso 1.000 C C17 1.0000 -0.00000 0.07674 0.06683 Biso 1.000 C C18 1.0000 0.70433 0.82578 0.06550 Biso 1.000 C C19 1.0000 0.20433 0.67422 0.93450 Biso 1.000 C C20 1.0000 0.00000 0.92326 0.93317 Biso 1.000 C C21 1.0000 -0.00000 0.92326 0.56683 Biso 1.000 C C22 1.0000 0.29567 0.82578 0.43450 Biso 1.000 C C23 1.0000 0.29567 0.82578 0.06550 Biso 1.000 C C24 1.0000 0.70433 0.82578 0.43450 Biso 1.000 C data_G100 _cell_length_a 2.52049 _cell_length_b 12.3357 _cell_length_c 3.95339 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G100 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.87469 0.29896 Biso 1.000 C C2 1.0000 0.00000 0.93681 0.80777 Biso 1.000 C C3 1.0000 0.00000 0.28474 0.00000 Biso 1.000 C C4 1.0000 0.50000 0.21526 0.00000 Biso 1.000 C C5 1.0000 0.00000 0.06319 0.19223 Biso 1.000 C C6 1.0000 0.00000 0.93681 0.19223 Biso 1.000 C C7 1.0000 0.50000 0.87469 0.70104 Biso 1.000 C C8 1.0000 0.00000 0.06319 0.80777 Biso 1.000 C C9 1.0000 0.50000 0.12531 0.29896 Biso 1.000 C C10 1.0000 0.50000 0.12531 0.70104 Biso 1.000 C C11 1.0000 0.00000 0.37469 0.29896 Biso 1.000 C C12 1.0000 0.50000 0.43681 0.80777 Biso 1.000 C C13 1.0000 0.50000 0.78474 0.00000 Biso 1.000 C C14 1.0000 0.00000 0.71526 0.00000 Biso 1.000 C C15 1.0000 0.50000 0.56319 0.19223 Biso 1.000 C C16 1.0000 0.50000 0.43681 0.19223 Biso 1.000 C C17 1.0000 0.00000 0.37469 0.70104 Biso 1.000 C C18 1.0000 0.50000 0.56319 0.80777 Biso 1.000 C C19 1.0000 0.00000 0.62531 0.29896 Biso 1.000 C C20 1.0000 0.00000 0.62531 0.70104 Biso 1.000 C data_G102 _cell_length_a 7.04444 _cell_length_b 3.30941 _cell_length_c 5.32973 _cell_angle_alpha 90 _cell_angle_beta 89.999 _cell_angle_gamma 90 _chemical_formula_sum G102 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.85257 0.67735 0.34992 Biso 1.000 C C2 1.0000 0.14742 0.32272 0.34994 Biso 1.000 C C3 1.0000 0.14743 0.32265 0.65008 Biso 1.000 C C4 1.0000 0.14742 0.67728 0.84994 Biso 1.000 C C5 1.0000 0.85258 0.67728 0.65006 Biso 1.000 C C6 1.0000 1.00000 0.99995 0.75000 Biso 1.000 C C7 1.0000 1.00000 0.00005 0.25000 Biso 1.000 C C8 1.0000 0.14743 0.67735 0.15008 Biso 1.000 C C9 1.0000 0.85257 0.32265 0.84992 Biso 1.000 C C10 1.0000 0.85258 0.32272 0.15006 Biso 1.000 C C11 1.0000 0.35257 0.17735 0.34992 Biso 1.000 C C12 1.0000 0.64742 0.82272 0.34994 Biso 1.000 C C13 1.0000 0.64743 0.82265 0.65008 Biso 1.000 C C14 1.0000 0.64742 0.17728 0.84994 Biso 1.000 C C15 1.0000 0.35258 0.17728 0.65006 Biso 1.000 C C16 1.0000 0.50000 0.49995 0.75000 Biso 1.000 C C17 1.0000 0.50000 0.50005 0.25000 Biso 1.000 C C18 1.0000 0.64743 0.17735 0.15008 Biso 1.000 C C19 1.0000 0.35257 0.82265 0.84992 Biso 1.000 C C20 1.0000 0.35258 0.82272 0.15006 Biso 1.000 C data_G103 _cell_length_a 7.41053 _cell_length_b 5.21732 _cell_length_c 3.92043 _cell_angle_alpha 90 _cell_angle_beta 93.7078 _cell_angle_gamma 90 _chemical_formula_sum G103 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.57106 0.23355 0.14640 Biso 1.000 C C2 1.0000 0.92894 0.73355 0.85360 Biso 1.000 C C3 1.0000 0.50000 0.70239 0.50000 Biso 1.000 C C4 1.0000 0.80107 0.50000 0.85824 Biso 1.000 C C5 1.0000 1.00000 0.79761 0.50000 Biso 1.000 C C6 1.0000 0.42894 0.76645 0.85360 Biso 1.000 C C7 1.0000 0.67743 0.50000 0.15659 Biso 1.000 C C8 1.0000 0.65579 0.50000 0.55602 Biso 1.000 C C9 1.0000 0.69893 0.00000 0.14176 Biso 1.000 C C10 1.0000 0.57106 0.76645 0.14640 Biso 1.000 C C11 1.0000 0.32257 0.50000 0.84341 Biso 1.000 C C12 1.0000 0.34421 0.50000 0.44398 Biso 1.000 C C13 1.0000 0.07106 0.73355 0.14640 Biso 1.000 C C14 1.0000 0.42894 0.23355 0.85360 Biso 1.000 C C15 1.0000 1.00000 0.20239 0.50000 Biso 1.000 C C16 1.0000 0.30107 0.00000 0.85824 Biso 1.000 C C17 1.0000 0.50000 0.29761 0.50000 Biso 1.000 C C18 1.0000 0.92894 0.26645 0.85360 Biso 1.000 C C19 1.0000 0.17743 0.00000 0.15659 Biso 1.000 C C20 1.0000 0.15579 0.00000 0.55602 Biso 1.000 C C21 1.0000 0.19893 0.50000 0.14176 Biso 1.000 C C22 1.0000 0.07106 0.26645 0.14640 Biso 1.000 C C23 1.0000 0.82257 -0.00000 0.84341 Biso 1.000 C C24 1.0000 0.84421 0.00000 0.44398 Biso 1.000 C data_G104 _cell_length_a 4.85936 _cell_length_b 7.02111 _cell_length_c 4.34542 _cell_angle_alpha 90 _cell_angle_beta 93.1284 _cell_angle_gamma 90 _chemical_formula_sum G104 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.35789 0.81402 0.91022 Biso 1.000 C C2 1.0000 0.87319 0.78666 0.59935 Biso 1.000 C C3 1.0000 0.37319 0.71334 0.59935 Biso 1.000 C C4 1.0000 0.14211 0.31402 0.08978 Biso 1.000 C C5 1.0000 0.21157 0.00000 0.92329 Biso 1.000 C C6 1.0000 0.78843 0.00000 0.07671 Biso 1.000 C C7 1.0000 0.35789 0.18598 0.91022 Biso 1.000 C C8 1.0000 0.09452 0.00000 0.25020 Biso 1.000 C C9 1.0000 0.14211 0.68598 0.08978 Biso 1.000 C C10 1.0000 0.12681 0.21334 0.40065 Biso 1.000 C C11 1.0000 0.12681 0.78666 0.40065 Biso 1.000 C C12 1.0000 0.90548 -0.00000 0.74980 Biso 1.000 C C13 1.0000 0.85789 0.31402 0.91022 Biso 1.000 C C14 1.0000 0.37319 0.28666 0.59935 Biso 1.000 C C15 1.0000 0.87319 0.21334 0.59935 Biso 1.000 C C16 1.0000 0.64211 0.81402 0.08978 Biso 1.000 C C17 1.0000 0.71157 0.50000 0.92329 Biso 1.000 C C18 1.0000 0.28843 0.50000 0.07671 Biso 1.000 C C19 1.0000 0.85789 0.68598 0.91022 Biso 1.000 C C20 1.0000 0.59452 0.50000 0.25020 Biso 1.000 C C21 1.0000 0.64211 0.18598 0.08978 Biso 1.000 C C22 1.0000 0.62681 0.71334 0.40065 Biso 1.000 C C23 1.0000 0.62681 0.28666 0.40065 Biso 1.000 C C24 1.0000 0.40548 0.50000 0.74980 Biso 1.000 C data_G105 _cell_length_a 2.51221 _cell_length_b 4.30845 _cell_length_c 6.86233 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G105 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00000 0.92842 0.09783 Biso 1.000 C C2 1.0000 0.50000 0.58913 0.87735 Biso 1.000 C C3 1.0000 0.00000 0.41087 0.37735 Biso 1.000 C C4 1.0000 0.00000 0.07213 0.30023 Biso 1.000 C C5 1.0000 -0.00000 0.07233 0.89544 Biso 1.000 C C6 1.0000 0.50000 0.07158 0.59783 Biso 1.000 C C7 1.0000 0.50000 0.92787 0.80023 Biso 1.000 C C8 1.0000 0.50000 0.92767 0.39544 Biso 1.000 C C9 1.0000 0.50000 0.58893 0.31822 Biso 1.000 C C10 1.0000 0.00000 0.28618 0.59780 Biso 1.000 C C11 1.0000 0.50000 0.71382 0.09780 Biso 1.000 C C12 1.0000 0.00000 0.41107 0.81822 Biso 1.000 C data_G107 _cell_length_a 7.36308 _cell_length_b 2.52261 _cell_length_c 5.33582 _cell_angle_alpha 90 _cell_angle_beta 99.7896 _cell_angle_gamma 90 _chemical_formula_sum G107 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.97363 0.50000 0.35643 Biso 1.000 C C2 1.0000 0.89982 0.00000 0.97148 Biso 1.000 C C3 1.0000 0.85092 0.50000 0.80877 Biso 1.000 C C4 1.0000 0.10018 0.00000 0.02852 Biso 1.000 C C5 1.0000 0.14908 0.50000 0.19123 Biso 1.000 C C6 1.0000 0.13665 -0.00000 0.75196 Biso 1.000 C C7 1.0000 0.86335 0.00000 0.24804 Biso 1.000 C C8 1.0000 0.02637 0.50000 0.64357 Biso 1.000 C C9 1.0000 0.47363 -0.00000 0.35643 Biso 1.000 C C10 1.0000 0.39982 0.50000 0.97148 Biso 1.000 C C11 1.0000 0.35092 -0.00000 0.80877 Biso 1.000 C C12 1.0000 0.60018 0.50000 0.02852 Biso 1.000 C C13 1.0000 0.64908 0.00000 0.19123 Biso 1.000 C C14 1.0000 0.63665 0.50000 0.75196 Biso 1.000 C C15 1.0000 0.36335 0.50000 0.24804 Biso 1.000 C C16 1.0000 0.52637 0.00000 0.64357 Biso 1.000 C data_G108 _cell_length_a 4.12389 _cell_length_b 2.52619 _cell_length_c 4.78077 _cell_angle_alpha 90 _cell_angle_beta 106.062 _cell_angle_gamma 90 _chemical_formula_sum G108 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.89988 0.50000 0.11336 Biso 1.000 C C2 1.0000 0.33321 0.00000 0.53398 Biso 1.000 C C3 1.0000 0.13151 0.50000 0.42103 Biso 1.000 C C4 1.0000 0.66679 0.00000 0.46602 Biso 1.000 C C5 1.0000 0.32506 -0.00000 0.88243 Biso 1.000 C C6 1.0000 0.86849 0.50000 0.57897 Biso 1.000 C C7 1.0000 0.67494 0.00000 0.11757 Biso 1.000 C C8 1.0000 0.10012 0.50000 0.88664 Biso 1.000 C data_G109 _cell_length_a 4.72346 _cell_length_b 5.05011 _cell_length_c 4.17411 _cell_angle_alpha 90 _cell_angle_beta 106.92 _cell_angle_gamma 90 _chemical_formula_sum G109 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.09592 0.25967 0.88333 Biso 1.000 C C2 1.0000 0.11457 0.50000 0.66999 Biso 1.000 C C3 1.0000 0.38543 0.00000 0.33001 Biso 1.000 C C4 1.0000 0.02701 0.00000 0.32730 Biso 1.000 C C5 1.0000 0.40408 0.75967 0.11667 Biso 1.000 C C6 1.0000 0.97299 -0.00000 0.67270 Biso 1.000 C C7 1.0000 0.09592 0.74033 0.88333 Biso 1.000 C C8 1.0000 0.90408 0.74033 0.11667 Biso 1.000 C C9 1.0000 0.59592 0.75967 0.88333 Biso 1.000 C C10 1.0000 0.61457 -0.00000 0.66999 Biso 1.000 C C11 1.0000 0.88543 0.50000 0.33001 Biso 1.000 C C12 1.0000 0.52701 0.50000 0.32730 Biso 1.000 C C13 1.0000 0.90408 0.25967 0.11667 Biso 1.000 C C14 1.0000 0.47299 0.50000 0.67270 Biso 1.000 C C15 1.0000 0.59592 0.24033 0.88333 Biso 1.000 C C16 1.0000 0.40408 0.24033 0.11667 Biso 1.000 C data_G110 _cell_length_a 2.49406 _cell_length_b 6.1235 _cell_length_c 11.1821 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G110 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.68124 0.61326 Biso 1.000 C C2 1.0000 0.00000 0.81876 0.61326 Biso 1.000 C C3 1.0000 -0.00000 -0.00000 0.71113 Biso 1.000 C C4 1.0000 0.00000 0.81876 0.38674 Biso 1.000 C C5 1.0000 0.50000 0.68124 0.38674 Biso 1.000 C C6 1.0000 0.00000 0.00000 0.50000 Biso 1.000 C C7 1.0000 0.00000 0.00000 0.28887 Biso 1.000 C C8 1.0000 0.50000 0.18124 0.11326 Biso 1.000 C C9 1.0000 0.00000 0.31876 0.11326 Biso 1.000 C C10 1.0000 0.00000 0.50000 0.21113 Biso 1.000 C C11 1.0000 0.00000 0.31876 0.88674 Biso 1.000 C C12 1.0000 0.50000 0.18124 0.88674 Biso 1.000 C C13 1.0000 0.00000 0.50000 0.00000 Biso 1.000 C C14 1.0000 0.00000 0.50000 0.78887 Biso 1.000 C C15 1.0000 0.00000 0.68124 0.11326 Biso 1.000 C C16 1.0000 0.50000 0.81876 0.11326 Biso 1.000 C C17 1.0000 0.50000 0.00000 0.21113 Biso 1.000 C C18 1.0000 0.50000 0.81876 0.88674 Biso 1.000 C C19 1.0000 0.00000 0.68124 0.88674 Biso 1.000 C C20 1.0000 0.50000 0.00000 0.00000 Biso 1.000 C C21 1.0000 0.50000 0.00000 0.78887 Biso 1.000 C C22 1.0000 0.00000 0.18124 0.61326 Biso 1.000 C C23 1.0000 0.50000 0.31876 0.61326 Biso 1.000 C C24 1.0000 0.50000 0.50000 0.71113 Biso 1.000 C C25 1.0000 0.50000 0.31876 0.38674 Biso 1.000 C C26 1.0000 0.00000 0.18124 0.38674 Biso 1.000 C C27 1.0000 0.50000 0.50000 0.50000 Biso 1.000 C C28 1.0000 0.50000 0.50000 0.28887 Biso 1.000 C data_G112 _cell_length_a 2.49797 _cell_length_b 4.70111 _cell_length_c 5.01567 _cell_angle_alpha 91.7826 _cell_angle_beta 92.4756 _cell_angle_gamma 99.68 _chemical_formula_sum G112 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.56446 0.27010 0.19780 Biso 1.000 C C2 1.0000 0.53018 0.02627 0.65938 Biso 1.000 C C3 1.0000 0.43554 0.72990 0.80220 Biso 1.000 C C4 1.0000 0.04671 0.32830 0.02720 Biso 1.000 C C5 1.0000 0.46982 0.97373 0.34062 Biso 1.000 C C6 1.0000 0.95329 0.67170 0.97280 Biso 1.000 C C7 1.0000 0.25391 0.48836 0.58563 Biso 1.000 C C8 1.0000 0.74609 0.51164 0.41437 Biso 1.000 C C9 1.0000 0.90847 0.79609 0.26227 Biso 1.000 C C10 1.0000 0.09153 0.20391 0.73773 Biso 1.000 C data_G113 _cell_length_a 4.11956 _cell_length_b 5.12049 _cell_length_c 3.0547 _cell_angle_alpha 90 _cell_angle_beta 108.033 _cell_angle_gamma 90 _chemical_formula_sum G113 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.65443 0.04241 0.91557 Biso 1.000 C C2 1.0000 0.81369 0.81090 0.30189 Biso 1.000 C C3 1.0000 0.50000 0.87781 0.50000 Biso 1.000 C C4 1.0000 0.68631 0.31090 0.69811 Biso 1.000 C C5 1.0000 0.84557 0.54241 0.08443 Biso 1.000 C C6 1.0000 0.15443 0.54241 0.91557 Biso 1.000 C C7 1.0000 0.31369 0.31090 0.30189 Biso 1.000 C C8 1.0000 1.00000 0.37781 0.50000 Biso 1.000 C C9 1.0000 0.18631 0.81090 0.69811 Biso 1.000 C C10 1.0000 0.34557 0.04241 0.08443 Biso 1.000 C data_G114 _cell_length_a 3.10478 _cell_length_b 3.10478 _cell_length_c 2.45142 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G114 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.85414 0.00000 Biso 1.000 C C2 1.0000 0.85414 0.50000 0.75000 Biso 1.000 C C3 1.0000 0.50000 0.14586 0.50000 Biso 1.000 C C4 1.0000 0.14586 0.50000 0.25000 Biso 1.000 C data_G115 _cell_length_a 2.52133 _cell_length_b 11.4073 _cell_length_c 4.90424 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G115 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.50000 0.55831 0.42168 Biso 1.000 C C2 1.0000 0.00000 0.29960 0.25000 Biso 1.000 C C3 1.0000 0.00000 0.27838 0.75000 Biso 1.000 C C4 1.0000 0.00000 0.72162 0.25000 Biso 1.000 C C5 1.0000 0.00000 0.63218 0.48209 Biso 1.000 C C6 1.0000 0.00000 0.36782 0.51791 Biso 1.000 C C7 1.0000 0.00000 0.63218 0.01791 Biso 1.000 C C8 1.0000 0.50000 0.44169 0.57832 Biso 1.000 C C9 1.0000 0.00000 0.70040 0.75000 Biso 1.000 C C10 1.0000 0.50000 0.55831 0.07832 Biso 1.000 C C11 1.0000 0.00000 0.36782 0.98209 Biso 1.000 C C12 1.0000 0.50000 0.44169 0.92168 Biso 1.000 C C13 1.0000 0.00000 0.05831 0.42168 Biso 1.000 C C14 1.0000 0.50000 0.79960 0.25000 Biso 1.000 C C15 1.0000 0.50000 0.77838 0.75000 Biso 1.000 C C16 1.0000 0.50000 0.22162 0.25000 Biso 1.000 C C17 1.0000 0.50000 0.13218 0.48209 Biso 1.000 C C18 1.0000 0.50000 0.86782 0.51791 Biso 1.000 C C19 1.0000 0.50000 0.13218 0.01791 Biso 1.000 C C20 1.0000 0.00000 0.94169 0.57832 Biso 1.000 C C21 1.0000 0.50000 0.20040 0.75000 Biso 1.000 C C22 1.0000 0.00000 0.05831 0.07832 Biso 1.000 C C23 1.0000 0.50000 0.86782 0.98209 Biso 1.000 C C24 1.0000 0.00000 0.94169 0.92168 Biso 1.000 C data_G116 _cell_length_a 3.37031 _cell_length_b 7.01593 _cell_length_c 10.0844 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G116 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.06498 0.39721 0.80486 Biso 1.000 C C2 1.0000 0.81498 0.35279 0.05486 Biso 1.000 C C3 1.0000 0.81498 0.64721 0.94514 Biso 1.000 C C4 1.0000 0.75000 0.25000 0.75000 Biso 1.000 C C5 1.0000 0.18502 0.35279 0.94514 Biso 1.000 C C6 1.0000 0.43502 0.39721 0.69514 Biso 1.000 C C7 1.0000 0.56498 0.60279 0.69514 Biso 1.000 C C8 1.0000 0.93502 0.60279 0.80486 Biso 1.000 C C9 1.0000 0.50000 0.50000 0.00000 Biso 1.000 C C10 1.0000 0.18502 0.64721 0.05486 Biso 1.000 C C11 1.0000 0.06498 0.89721 0.30486 Biso 1.000 C C12 1.0000 0.81498 0.85279 0.55486 Biso 1.000 C C13 1.0000 0.81498 0.14721 0.44514 Biso 1.000 C C14 1.0000 0.75000 0.75000 0.25000 Biso 1.000 C C15 1.0000 0.18502 0.85279 0.44514 Biso 1.000 C C16 1.0000 0.43502 0.89721 0.19514 Biso 1.000 C C17 1.0000 0.56498 0.10279 0.19514 Biso 1.000 C C18 1.0000 0.93502 0.10279 0.30486 Biso 1.000 C C19 1.0000 0.50000 0.00000 0.50000 Biso 1.000 C C20 1.0000 0.18502 0.14721 0.55486 Biso 1.000 C C21 1.0000 0.56498 0.39721 0.30486 Biso 1.000 C C22 1.0000 0.31498 0.35279 0.55486 Biso 1.000 C C23 1.0000 0.31498 0.64721 0.44514 Biso 1.000 C C24 1.0000 0.25000 0.25000 0.25000 Biso 1.000 C C25 1.0000 0.68502 0.35279 0.44514 Biso 1.000 C C26 1.0000 0.93502 0.39721 0.19514 Biso 1.000 C C27 1.0000 0.06498 0.60279 0.19514 Biso 1.000 C C28 1.0000 0.43502 0.60279 0.30486 Biso 1.000 C C29 1.0000 0.00000 0.50000 0.50000 Biso 1.000 C C30 1.0000 0.68502 0.64721 0.55486 Biso 1.000 C C31 1.0000 0.56498 0.89721 0.80486 Biso 1.000 C C32 1.0000 0.31498 0.85279 0.05486 Biso 1.000 C C33 1.0000 0.31498 0.14721 0.94514 Biso 1.000 C C34 1.0000 0.25000 0.75000 0.75000 Biso 1.000 C C35 1.0000 0.68502 0.85279 0.94514 Biso 1.000 C C36 1.0000 0.93502 0.89721 0.69514 Biso 1.000 C C37 1.0000 0.06498 0.10279 0.69514 Biso 1.000 C C38 1.0000 0.43502 0.10279 0.80486 Biso 1.000 C C39 1.0000 0.00000 0.00000 0.00000 Biso 1.000 C C40 1.0000 0.68502 0.14721 0.05486 Biso 1.000 C data_G117 _cell_length_a 4.34463 _cell_length_b 4.73228 _cell_length_c 4.55722 _cell_angle_alpha 90 _cell_angle_beta 99.5634 _cell_angle_gamma 90 _chemical_formula_sum G117 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.05232 0.87821 0.90907 Biso 1.000 C C2 1.0000 0.07233 0.37552 0.94489 Biso 1.000 C C3 1.0000 0.05232 0.62179 0.40907 Biso 1.000 C C4 1.0000 0.94768 0.12179 0.09093 Biso 1.000 C C5 1.0000 0.59018 0.09064 0.12006 Biso 1.000 C C6 1.0000 0.92767 0.87552 0.55511 Biso 1.000 C C7 1.0000 0.40982 0.59064 0.37994 Biso 1.000 C C8 1.0000 0.92767 0.62448 0.05511 Biso 1.000 C C9 1.0000 0.58308 0.59322 0.90723 Biso 1.000 C C10 1.0000 0.41692 0.09322 0.59277 Biso 1.000 C C11 1.0000 0.94768 0.37821 0.59093 Biso 1.000 C C12 1.0000 0.41692 0.40678 0.09277 Biso 1.000 C C13 1.0000 0.59018 0.40936 0.62006 Biso 1.000 C C14 1.0000 0.07233 0.12448 0.44489 Biso 1.000 C C15 1.0000 0.58308 0.90678 0.40723 Biso 1.000 C C16 1.0000 0.40982 0.90936 0.87994 Biso 1.000 C data_G118 _cell_length_a 3.41412 _cell_length_b 5.11485 _cell_length_c 5.62515 _cell_angle_alpha 95.4046 _cell_angle_beta 95.4869 _cell_angle_gamma 99.2192 _chemical_formula_sum G118 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.90348 0.78111 0.89439 Biso 1.000 C C2 1.0000 0.80622 0.33679 0.40252 Biso 1.000 C C3 1.0000 0.54213 0.13169 0.00725 Biso 1.000 C C4 1.0000 0.15867 0.55592 0.91277 Biso 1.000 C C5 1.0000 0.07713 0.13412 0.33137 Biso 1.000 C C6 1.0000 0.50314 0.61082 0.73185 Biso 1.000 C C7 1.0000 0.87816 0.27086 0.84991 Biso 1.000 C C8 1.0000 0.64702 0.73811 0.29477 Biso 1.000 C C9 1.0000 0.78450 0.93595 0.13276 Biso 1.000 C C10 1.0000 0.62530 0.31541 0.63324 Biso 1.000 C C11 1.0000 0.42549 0.28358 0.21945 Biso 1.000 C C12 1.0000 0.38979 0.77136 0.51515 Biso 1.000 C C13 1.0000 0.01192 0.60437 0.35349 Biso 1.000 C C14 1.0000 0.13373 0.04525 0.81453 Biso 1.000 C C15 1.0000 0.30548 0.54342 0.16856 Biso 1.000 C C16 1.0000 0.29007 0.05505 0.57129 Biso 1.000 C data_G119 _cell_length_a 3.42912 _cell_length_b 4.77873 _cell_length_c 5.79169 _cell_angle_alpha 90 _cell_angle_beta 93.9807 _cell_angle_gamma 90 _chemical_formula_sum G119 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.05683 0.18574 0.66509 Biso 1.000 C C2 1.0000 0.70850 0.16103 0.48225 Biso 1.000 C C3 1.0000 0.58557 0.40818 0.90905 Biso 1.000 C C4 1.0000 0.37239 0.40095 0.13994 Biso 1.000 C C5 1.0000 0.11309 0.13227 0.11109 Biso 1.000 C C6 1.0000 0.41443 0.90818 0.09095 Biso 1.000 C C7 1.0000 0.88691 0.63227 0.88891 Biso 1.000 C C8 1.0000 0.21051 0.48237 0.72406 Biso 1.000 C C9 1.0000 0.78949 0.98237 0.27594 Biso 1.000 C C10 1.0000 0.40301 0.96835 0.62315 Biso 1.000 C C11 1.0000 0.14420 0.65342 0.11336 Biso 1.000 C C12 1.0000 0.62761 0.90095 0.86006 Biso 1.000 C C13 1.0000 0.85580 0.15342 0.88664 Biso 1.000 C C14 1.0000 0.94317 0.68574 0.33491 Biso 1.000 C C15 1.0000 0.59699 0.46835 0.37685 Biso 1.000 C C16 1.0000 0.29150 0.66103 0.51775 Biso 1.000 C data_G120 _cell_length_a 3.452 _cell_length_b 5.80128 _cell_length_c 4.84087 _cell_angle_alpha 90 _cell_angle_beta 101.883 _cell_angle_gamma 90 _chemical_formula_sum G120 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.85490 0.28851 0.16249 Biso 1.000 C C2 1.0000 0.11446 0.26622 0.94547 Biso 1.000 C C3 1.0000 0.66144 0.97889 0.62767 Biso 1.000 C C4 1.0000 0.85490 0.21149 0.66249 Biso 1.000 C C5 1.0000 0.88554 0.76622 0.55453 Biso 1.000 C C6 1.0000 0.47004 0.10389 0.09310 Biso 1.000 C C7 1.0000 0.66144 0.52111 0.12767 Biso 1.000 C C8 1.0000 0.47004 0.39611 0.59310 Biso 1.000 C C9 1.0000 0.88554 0.73378 0.05453 Biso 1.000 C C10 1.0000 0.52996 0.60389 0.40690 Biso 1.000 C C11 1.0000 0.14510 0.78851 0.33751 Biso 1.000 C C12 1.0000 0.33856 0.02111 0.37233 Biso 1.000 C C13 1.0000 0.33856 0.47889 0.87233 Biso 1.000 C C14 1.0000 0.14510 0.71149 0.83751 Biso 1.000 C C15 1.0000 0.11446 0.23378 0.44547 Biso 1.000 C C16 1.0000 0.52996 0.89611 0.90690 Biso 1.000 C data_G121 _cell_length_a 3.40172 _cell_length_b 5.27973 _cell_length_c 5.56104 _cell_angle_alpha 73.2111 _cell_angle_beta 85.4839 _cell_angle_gamma 90.0002 _chemical_formula_sum G121 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.98083 0.71960 0.03185 Biso 1.000 C C2 1.0000 0.51083 0.33400 0.31444 Biso 1.000 C C3 1.0000 0.30745 0.82727 0.17363 Biso 1.000 C C4 1.0000 0.63570 0.61889 0.25632 Biso 1.000 C C5 1.0000 0.99604 0.40187 0.68548 Biso 1.000 C C6 1.0000 0.19720 0.94835 0.60589 Biso 1.000 C C7 1.0000 0.23871 0.29284 0.11469 Biso 1.000 C C8 1.0000 0.83628 0.14944 0.22661 Biso 1.000 C C9 1.0000 0.51774 0.10102 0.05118 Biso 1.000 C C10 1.0000 0.50652 0.73801 0.70565 Biso 1.000 C C11 1.0000 0.83395 0.89944 0.79273 Biso 1.000 C C12 1.0000 0.19099 0.52595 0.89449 Biso 1.000 C C13 1.0000 0.03658 0.89411 0.38347 Biso 1.000 C C14 1.0000 0.67114 0.17182 0.78023 Biso 1.000 C C15 1.0000 0.34527 0.22827 0.58827 Biso 1.000 C C16 1.0000 0.78159 0.64982 0.50269 Biso 1.000 C data_G122 _cell_length_a 4.63095 _cell_length_b 4.58277 _cell_length_c 4.70989 _cell_angle_alpha 91.4169 _cell_angle_beta 104.424 _cell_angle_gamma 99.8272 _chemical_formula_sum G122 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.54741 0.37872 0.92163 Biso 1.000 C C2 1.0000 0.10441 0.84546 0.77894 Biso 1.000 C C3 1.0000 0.45259 0.62128 0.07837 Biso 1.000 C C4 1.0000 0.04431 0.34295 0.50222 Biso 1.000 C C5 1.0000 0.60188 0.92629 0.61130 Biso 1.000 C C6 1.0000 0.10308 0.64954 0.03264 Biso 1.000 C C7 1.0000 0.92713 0.13218 0.72506 Biso 1.000 C C8 1.0000 0.95569 0.65705 0.49778 Biso 1.000 C C9 1.0000 0.07287 0.86782 0.27494 Biso 1.000 C C10 1.0000 0.54847 0.11895 0.11936 Biso 1.000 C C11 1.0000 0.39615 0.36365 0.56221 Biso 1.000 C C12 1.0000 0.60385 0.63635 0.43779 Biso 1.000 C C13 1.0000 0.45153 0.88105 0.88064 Biso 1.000 C C14 1.0000 0.89691 0.35046 0.96736 Biso 1.000 C C15 1.0000 0.39812 0.07371 0.38870 Biso 1.000 C C16 1.0000 0.89559 0.15454 0.22106 Biso 1.000 C data_G123 _cell_length_a 3.49452 _cell_length_b 8.24936 _cell_length_c 6.57805 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G123 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.18131 0.85201 0.56120 Biso 1.000 C C2 1.0000 0.33365 0.94724 0.17370 Biso 1.000 C C3 1.0000 0.90221 0.20354 0.63276 Biso 1.000 C C4 1.0000 0.00000 0.93586 0.75000 Biso 1.000 C C5 1.0000 0.33365 0.05276 0.82630 Biso 1.000 C C6 1.0000 0.66635 0.94724 0.32630 Biso 1.000 C C7 1.0000 0.09779 0.20354 0.86724 Biso 1.000 C C8 1.0000 0.44342 0.00000 0.50000 Biso 1.000 C C9 1.0000 0.90221 0.79646 0.36724 Biso 1.000 C C10 1.0000 -0.00000 0.06414 0.25000 Biso 1.000 C C11 1.0000 0.66635 0.05276 0.67370 Biso 1.000 C C12 1.0000 0.09779 0.79646 0.13276 Biso 1.000 C C13 1.0000 0.55658 0.00000 0.00000 Biso 1.000 C C14 1.0000 0.18131 0.14799 0.43880 Biso 1.000 C C15 1.0000 0.81869 0.14799 0.06120 Biso 1.000 C C16 1.0000 0.81869 0.85201 0.93880 Biso 1.000 C C17 1.0000 0.68131 0.35201 0.56120 Biso 1.000 C C18 1.0000 0.83365 0.44724 0.17370 Biso 1.000 C C19 1.0000 0.40221 0.70354 0.63276 Biso 1.000 C C20 1.0000 0.50000 0.43586 0.75000 Biso 1.000 C C21 1.0000 0.83365 0.55276 0.82630 Biso 1.000 C C22 1.0000 0.16635 0.44724 0.32630 Biso 1.000 C C23 1.0000 0.59779 0.70354 0.86724 Biso 1.000 C C24 1.0000 0.94342 0.50000 0.50000 Biso 1.000 C C25 1.0000 0.40221 0.29646 0.36724 Biso 1.000 C C26 1.0000 0.50000 0.56414 0.25000 Biso 1.000 C C27 1.0000 0.16635 0.55276 0.67370 Biso 1.000 C C28 1.0000 0.59779 0.29646 0.13276 Biso 1.000 C C29 1.0000 0.05658 0.50000 0.00000 Biso 1.000 C C30 1.0000 0.68131 0.64799 0.43880 Biso 1.000 C C31 1.0000 0.31869 0.64799 0.06120 Biso 1.000 C C32 1.0000 0.31869 0.35201 0.93880 Biso 1.000 C data_G124 _cell_length_a 4.12565 _cell_length_b 4.81783 _cell_length_c 4.99488 _cell_angle_alpha 74.721 _cell_angle_beta 82.6842 _cell_angle_gamma 85.5813 _chemical_formula_sum G124 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.03149 0.06366 0.11166 Biso 1.000 C C2 1.0000 0.12949 0.62291 0.96764 Biso 1.000 C C3 1.0000 0.92490 0.89608 0.44147 Biso 1.000 C C4 1.0000 0.07510 0.10392 0.55853 Biso 1.000 C C5 1.0000 0.96851 0.93634 0.88834 Biso 1.000 C C6 1.0000 0.62755 0.39983 0.28309 Biso 1.000 C C7 1.0000 0.87535 0.38621 0.51870 Biso 1.000 C C8 1.0000 0.65702 0.36049 0.78328 Biso 1.000 C C9 1.0000 0.38860 0.97046 0.13733 Biso 1.000 C C10 1.0000 0.12465 0.61379 0.48130 Biso 1.000 C C11 1.0000 0.37245 0.60017 0.71691 Biso 1.000 C C12 1.0000 0.61140 0.02954 0.86267 Biso 1.000 C C13 1.0000 0.57754 0.89037 0.60771 Biso 1.000 C C14 1.0000 0.34298 0.63951 0.21672 Biso 1.000 C C15 1.0000 0.42246 0.10963 0.39229 Biso 1.000 C C16 1.0000 0.87051 0.37709 0.03236 Biso 1.000 C data_G125 _cell_length_a 9.38617 _cell_length_b 5.93461 _cell_length_c 3.43726 _cell_angle_alpha 90 _cell_angle_beta 96.0933 _cell_angle_gamma 90 _chemical_formula_sum G125 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.68623 0.50374 0.62694 Biso 1.000 C C2 1.0000 0.61228 0.79236 0.19063 Biso 1.000 C C3 1.0000 0.38772 0.79236 0.80937 Biso 1.000 C C4 1.0000 0.50000 0.94707 1.00000 Biso 1.000 C C5 1.0000 0.56584 0.08209 0.67225 Biso 1.000 C C6 1.0000 0.68335 0.91736 0.54402 Biso 1.000 C C7 1.0000 0.86973 0.80127 0.13339 Biso 1.000 C C8 1.0000 0.55789 0.57856 0.35383 Biso 1.000 C C9 1.0000 0.93416 0.58209 0.32775 Biso 1.000 C C10 1.0000 0.00000 0.92544 0.00000 Biso 1.000 C C11 1.0000 0.13027 0.80127 0.86661 Biso 1.000 C C12 1.0000 0.44211 0.57856 0.64617 Biso 1.000 C C13 1.0000 0.81377 0.00374 0.37306 Biso 1.000 C C14 1.0000 0.81665 0.41736 0.45598 Biso 1.000 C C15 1.0000 0.27817 0.74060 0.12470 Biso 1.000 C C16 1.0000 0.72183 0.74060 0.87530 Biso 1.000 C C17 1.0000 0.18623 0.00374 0.62694 Biso 1.000 C C18 1.0000 0.11228 0.29236 0.19063 Biso 1.000 C C19 1.0000 0.88772 0.29236 0.80937 Biso 1.000 C C20 1.0000 0.00000 0.44707 0.00000 Biso 1.000 C C21 1.0000 0.06584 0.58209 0.67225 Biso 1.000 C C22 1.0000 0.18335 0.41736 0.54402 Biso 1.000 C C23 1.0000 0.36973 0.30127 0.13339 Biso 1.000 C C24 1.0000 0.05789 0.07856 0.35383 Biso 1.000 C C25 1.0000 0.43416 0.08209 0.32775 Biso 1.000 C C26 1.0000 0.50000 0.42544 1.00000 Biso 1.000 C C27 1.0000 0.63027 0.30127 0.86661 Biso 1.000 C C28 1.0000 0.94211 0.07856 0.64617 Biso 1.000 C C29 1.0000 0.31377 0.50374 0.37306 Biso 1.000 C C30 1.0000 0.31665 0.91736 0.45598 Biso 1.000 C C31 1.0000 0.77817 0.24060 0.12470 Biso 1.000 C C32 1.0000 0.22183 0.24060 0.87530 Biso 1.000 C data_G126 _cell_length_a 4.61434 _cell_length_b 4.78749 _cell_length_c 4.83675 _cell_angle_alpha 78.992 _cell_angle_beta 89.3523 _cell_angle_gamma 63.681 _chemical_formula_sum G126 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.17957 0.13121 0.15042 Biso 1.000 C C2 1.0000 0.36664 0.79642 0.09776 Biso 1.000 C C3 1.0000 0.12175 0.66007 0.09525 Biso 1.000 C C4 1.0000 0.60561 0.61564 0.34993 Biso 1.000 C C5 1.0000 0.57783 0.28019 0.39960 Biso 1.000 C C6 1.0000 0.91449 0.65560 0.37887 Biso 1.000 C C7 1.0000 0.82043 0.86879 0.84958 Biso 1.000 C C8 1.0000 0.38657 0.30308 0.13476 Biso 1.000 C C9 1.0000 0.08551 0.34440 0.62113 Biso 1.000 C C10 1.0000 0.61343 0.69692 0.86524 Biso 1.000 C C11 1.0000 0.87825 0.33993 0.90475 Biso 1.000 C C12 1.0000 0.86162 0.95612 0.51902 Biso 1.000 C C13 1.0000 0.39439 0.38436 0.65007 Biso 1.000 C C14 1.0000 0.63336 0.20358 0.90224 Biso 1.000 C C15 1.0000 0.42217 0.71981 0.60041 Biso 1.000 C C16 1.0000 0.13838 0.04388 0.48098 Biso 1.000 C data_G127 _cell_length_a 4.12906 _cell_length_b 4.15236 _cell_length_c 5.78201 _cell_angle_alpha 95.3629 _cell_angle_beta 95.2241 _cell_angle_gamma 93.7975 _chemical_formula_sum G127 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.63691 0.91201 0.68830 Biso 1.000 C C2 1.0000 0.06393 0.65844 0.47061 Biso 1.000 C C3 1.0000 0.19197 0.18261 0.08518 Biso 1.000 C C4 1.0000 0.73396 0.13012 0.32704 Biso 1.000 C C5 1.0000 0.36191 0.71211 0.30037 Biso 1.000 C C6 1.0000 0.63809 0.28789 0.69963 Biso 1.000 C C7 1.0000 0.36309 0.08799 0.31170 Biso 1.000 C C8 1.0000 0.17222 0.84088 0.91292 Biso 1.000 C C9 1.0000 0.93608 0.34156 0.52939 Biso 1.000 C C10 1.0000 0.26712 0.18826 0.56481 Biso 1.000 C C11 1.0000 0.80803 0.81739 0.91482 Biso 1.000 C C12 1.0000 0.33911 0.53797 0.04884 Biso 1.000 C C13 1.0000 0.66089 0.46203 0.95116 Biso 1.000 C C14 1.0000 0.73288 0.81174 0.43519 Biso 1.000 C C15 1.0000 0.82778 0.15912 0.08708 Biso 1.000 C C16 1.0000 0.26604 0.86988 0.67296 Biso 1.000 C data_G128 _cell_length_a 4.75407 _cell_length_b 10.0947 _cell_length_c 4.14652 _cell_angle_alpha 90 _cell_angle_beta 106.511 _cell_angle_gamma 90 _chemical_formula_sum G128 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.59579 0.75585 0.38344 Biso 1.000 C C2 1.0000 0.61624 0.87669 0.17230 Biso 1.000 C C3 1.0000 0.96921 0.87262 0.16944 Biso 1.000 C C4 1.0000 0.09579 0.74415 0.38344 Biso 1.000 C C5 1.0000 0.03079 0.87262 0.83056 Biso 1.000 C C6 1.0000 0.46921 0.62738 0.16944 Biso 1.000 C C7 1.0000 0.61352 -0.00000 0.39964 Biso 1.000 C C8 1.0000 0.38376 0.87669 0.82770 Biso 1.000 C C9 1.0000 0.07950 0.00000 0.36842 Biso 1.000 C C10 1.0000 0.11624 0.62331 0.17230 Biso 1.000 C C11 1.0000 0.53079 0.62738 0.83056 Biso 1.000 C C12 1.0000 0.92050 -0.00000 0.63158 Biso 1.000 C C13 1.0000 0.90421 0.74415 0.61656 Biso 1.000 C C14 1.0000 0.40421 0.75585 0.61656 Biso 1.000 C C15 1.0000 0.88376 0.62331 0.82770 Biso 1.000 C C16 1.0000 0.38648 0.00000 0.60036 Biso 1.000 C C17 1.0000 0.09579 0.25585 0.38344 Biso 1.000 C C18 1.0000 0.11624 0.37669 0.17230 Biso 1.000 C C19 1.0000 0.46921 0.37262 0.16944 Biso 1.000 C C20 1.0000 0.59579 0.24415 0.38344 Biso 1.000 C C21 1.0000 0.53079 0.37262 0.83056 Biso 1.000 C C22 1.0000 0.96921 0.12738 0.16944 Biso 1.000 C C23 1.0000 0.11352 0.50000 0.39964 Biso 1.000 C C24 1.0000 0.88376 0.37669 0.82770 Biso 1.000 C C25 1.0000 0.57950 0.50000 0.36842 Biso 1.000 C C26 1.0000 0.61624 0.12331 0.17230 Biso 1.000 C C27 1.0000 0.03079 0.12738 0.83056 Biso 1.000 C C28 1.0000 0.42050 0.50000 0.63158 Biso 1.000 C C29 1.0000 0.40421 0.24415 0.61656 Biso 1.000 C C30 1.0000 0.90421 0.25585 0.61656 Biso 1.000 C C31 1.0000 0.38376 0.12331 0.82770 Biso 1.000 C C32 1.0000 0.88648 0.50000 0.60036 Biso 1.000 C data_G129 _cell_length_a 4.4112 _cell_length_b 4.72443 _cell_length_c 4.7946 _cell_angle_alpha 97.2436 _cell_angle_beta 96.4715 _cell_angle_gamma 103.838 _chemical_formula_sum G129 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.08773 0.51938 0.27656 Biso 1.000 C C2 1.0000 0.58519 0.99162 0.23126 Biso 1.000 C C3 1.0000 0.91435 0.62871 0.04594 Biso 1.000 C C4 1.0000 0.55362 0.47877 0.03257 Biso 1.000 C C5 1.0000 0.82510 0.98621 0.74465 Biso 1.000 C C6 1.0000 0.86201 0.96181 0.08959 Biso 1.000 C C7 1.0000 0.38719 0.15813 0.06151 Biso 1.000 C C8 1.0000 0.18289 0.99027 0.76324 Biso 1.000 C C9 1.0000 0.63458 0.67856 0.57394 Biso 1.000 C C10 1.0000 0.32956 0.19489 0.56677 Biso 1.000 C C11 1.0000 0.44722 0.67969 0.28598 Biso 1.000 C C12 1.0000 0.11391 0.64407 0.77742 Biso 1.000 C C13 1.0000 0.14570 0.19865 0.24773 Biso 1.000 C C14 1.0000 0.87850 0.50032 0.52944 Biso 1.000 C C15 1.0000 0.67826 0.17982 0.53501 Biso 1.000 C C16 1.0000 0.39638 0.50905 0.74745 Biso 1.000 C data_G130 _cell_length_a 9.72429 _cell_length_b 4.47112 _cell_length_c 4.7078 _cell_angle_alpha 90 _cell_angle_beta 105.388 _cell_angle_gamma 90 _chemical_formula_sum G130 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00447 0.32400 0.32427 Biso 1.000 C C2 1.0000 0.63096 0.68616 0.23441 Biso 1.000 C C3 1.0000 0.73945 0.37476 0.68451 Biso 1.000 C C4 1.0000 0.88072 0.16382 0.10707 Biso 1.000 C C5 1.0000 0.99302 0.67906 0.66024 Biso 1.000 C C6 1.0000 0.76055 0.87476 0.31549 Biso 1.000 C C7 1.0000 0.65714 0.37101 0.35830 Biso 1.000 C C8 1.0000 0.84286 0.87101 0.64170 Biso 1.000 C C9 1.0000 0.77401 0.69310 0.83825 Biso 1.000 C C10 1.0000 0.72599 0.19310 0.16175 Biso 1.000 C C11 1.0000 0.00698 0.67906 0.33976 Biso 1.000 C C12 1.0000 0.99553 0.32400 0.67573 Biso 1.000 C C13 1.0000 0.86904 0.18616 0.76559 Biso 1.000 C C14 1.0000 0.87100 0.81338 0.14868 Biso 1.000 C C15 1.0000 0.62900 0.31338 0.85132 Biso 1.000 C C16 1.0000 0.11928 0.16382 0.89293 Biso 1.000 C C17 1.0000 0.50447 0.82400 0.32427 Biso 1.000 C C18 1.0000 0.13096 0.18616 0.23441 Biso 1.000 C C19 1.0000 0.23945 0.87476 0.68451 Biso 1.000 C C20 1.0000 0.38072 0.66382 0.10707 Biso 1.000 C C21 1.0000 0.49302 0.17906 0.66024 Biso 1.000 C C22 1.0000 0.26055 0.37476 0.31549 Biso 1.000 C C23 1.0000 0.15714 0.87101 0.35830 Biso 1.000 C C24 1.0000 0.34286 0.37101 0.64170 Biso 1.000 C C25 1.0000 0.27401 0.19310 0.83825 Biso 1.000 C C26 1.0000 0.22599 0.69310 0.16175 Biso 1.000 C C27 1.0000 0.50698 0.17906 0.33976 Biso 1.000 C C28 1.0000 0.49553 0.82400 0.67573 Biso 1.000 C C29 1.0000 0.36904 0.68616 0.76559 Biso 1.000 C C30 1.0000 0.37100 0.31338 0.14868 Biso 1.000 C C31 1.0000 0.12900 0.81338 0.85132 Biso 1.000 C C32 1.0000 0.61928 0.66382 0.89293 Biso 1.000 C data_G131 _cell_length_a 10.5218 _cell_length_b 3.50312 _cell_length_c 5.24764 _cell_angle_alpha 90 _cell_angle_beta 98.0191 _cell_angle_gamma 90 _chemical_formula_sum G131 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.37470 0.79524 0.37246 Biso 1.000 C C2 1.0000 0.32553 0.33926 0.01202 Biso 1.000 C C3 1.0000 0.62530 0.79524 0.62754 Biso 1.000 C C4 1.0000 0.50000 0.81351 0.00000 Biso 1.000 C C5 1.0000 0.45469 0.28001 0.69791 Biso 1.000 C C6 1.0000 0.23781 0.08841 0.80000 Biso 1.000 C C7 1.0000 0.34894 0.93530 0.65027 Biso 1.000 C C8 1.0000 0.59871 0.58851 0.15632 Biso 1.000 C C9 1.0000 0.26219 0.58841 0.20000 Biso 1.000 C C10 1.0000 0.50000 0.51729 0.50000 Biso 1.000 C C11 1.0000 0.42952 0.06877 0.17189 Biso 1.000 C C12 1.0000 0.57048 0.06877 0.82811 Biso 1.000 C C13 1.0000 0.40129 0.58851 0.84368 Biso 1.000 C C14 1.0000 0.15106 0.43530 0.34973 Biso 1.000 C C15 1.0000 0.54531 0.28001 0.30209 Biso 1.000 C C16 1.0000 0.17447 0.83926 0.98798 Biso 1.000 C C17 1.0000 0.87470 0.29525 0.37246 Biso 1.000 C C18 1.0000 0.82553 0.83926 0.01202 Biso 1.000 C C19 1.0000 0.12530 0.29525 0.62754 Biso 1.000 C C20 1.0000 0.00000 0.31351 0.00000 Biso 1.000 C C21 1.0000 0.95469 0.78001 0.69791 Biso 1.000 C C22 1.0000 0.73781 0.58841 0.80000 Biso 1.000 C C23 1.0000 0.84894 0.43530 0.65027 Biso 1.000 C C24 1.0000 0.09871 0.08851 0.15632 Biso 1.000 C C25 1.0000 0.76219 0.08841 0.20000 Biso 1.000 C C26 1.0000 0.00000 0.01729 0.50000 Biso 1.000 C C27 1.0000 0.92952 0.56877 0.17189 Biso 1.000 C C28 1.0000 0.07048 0.56877 0.82811 Biso 1.000 C C29 1.0000 0.90129 0.08851 0.84368 Biso 1.000 C C30 1.0000 0.65106 0.93530 0.34973 Biso 1.000 C C31 1.0000 0.04531 0.78001 0.30209 Biso 1.000 C C32 1.0000 0.67447 0.33926 0.98798 Biso 1.000 C data_G132 _cell_length_a 3.82049 _cell_length_b 4.53362 _cell_length_c 5.73857 _cell_angle_alpha 90.8292 _cell_angle_beta 89.4709 _cell_angle_gamma 83.4849 _chemical_formula_sum G132 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.36327 0.90076 0.01618 Biso 1.000 C C2 1.0000 0.15358 0.96542 0.25097 Biso 1.000 C C3 1.0000 0.63673 0.09924 0.98382 Biso 1.000 C C4 1.0000 0.79015 0.15247 0.22893 Biso 1.000 C C5 1.0000 0.55449 0.89596 0.59993 Biso 1.000 C C6 1.0000 0.48976 0.59800 0.10255 Biso 1.000 C C7 1.0000 0.80801 0.49780 0.26257 Biso 1.000 C C8 1.0000 0.44551 0.10404 0.40007 Biso 1.000 C C9 1.0000 0.19199 0.50220 0.73743 Biso 1.000 C C10 1.0000 0.84642 0.03458 0.74903 Biso 1.000 C C11 1.0000 0.66712 0.56252 0.51284 Biso 1.000 C C12 1.0000 0.33288 0.43748 0.48716 Biso 1.000 C C13 1.0000 0.16728 0.60970 0.27759 Biso 1.000 C C14 1.0000 0.51024 0.40200 0.89745 Biso 1.000 C C15 1.0000 0.83272 0.39030 0.72241 Biso 1.000 C C16 1.0000 0.20985 0.84753 0.77107 Biso 1.000 C data_G133 _cell_length_a 14.1808 _cell_length_b 4.01145 _cell_length_c 3.42381 _cell_angle_alpha 90 _cell_angle_beta 100.086 _cell_angle_gamma 90 _chemical_formula_sum G133 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.77063 0.24151 0.71193 Biso 1.000 C C2 1.0000 0.93805 0.63478 0.69268 Biso 1.000 C C3 1.0000 0.87882 0.88431 0.40483 Biso 1.000 C C4 1.0000 0.70415 0.40798 0.36324 Biso 1.000 C C5 1.0000 0.06195 0.63478 0.30732 Biso 1.000 C C6 1.0000 0.00000 0.89916 0.00000 Biso 1.000 C C7 1.0000 0.79585 0.90798 0.63676 Biso 1.000 C C8 1.0000 0.62118 0.38431 0.59517 Biso 1.000 C C9 1.0000 0.68415 0.22712 0.95124 Biso 1.000 C C10 1.0000 0.06668 0.15997 0.78364 Biso 1.000 C C11 1.0000 0.86383 0.41759 0.92003 Biso 1.000 C C12 1.0000 0.81585 0.72712 0.04876 Biso 1.000 C C13 1.0000 0.00000 0.39343 0.50000 Biso 1.000 C C14 1.0000 0.63617 0.91759 0.07997 Biso 1.000 C C15 1.0000 0.93332 0.15997 0.21636 Biso 1.000 C C16 1.0000 0.72937 0.74151 0.28807 Biso 1.000 C C17 1.0000 0.27063 0.74151 0.71193 Biso 1.000 C C18 1.0000 0.43805 0.13478 0.69268 Biso 1.000 C C19 1.0000 0.37882 0.38431 0.40483 Biso 1.000 C C20 1.0000 0.20415 0.90798 0.36324 Biso 1.000 C C21 1.0000 0.56195 0.13478 0.30732 Biso 1.000 C C22 1.0000 0.50000 0.39916 1.00000 Biso 1.000 C C23 1.0000 0.29585 0.40798 0.63676 Biso 1.000 C C24 1.0000 0.12118 0.88431 0.59517 Biso 1.000 C C25 1.0000 0.18415 0.72712 0.95124 Biso 1.000 C C26 1.0000 0.56668 0.65997 0.78364 Biso 1.000 C C27 1.0000 0.36383 0.91759 0.92003 Biso 1.000 C C28 1.0000 0.31585 0.22712 0.04876 Biso 1.000 C C29 1.0000 0.50000 0.89343 0.50000 Biso 1.000 C C30 1.0000 0.13617 0.41759 0.07997 Biso 1.000 C C31 1.0000 0.43332 0.65997 0.21636 Biso 1.000 C C32 1.0000 0.22937 0.24151 0.28807 Biso 1.000 C data_G134 _cell_length_a 4.84351 _cell_length_b 3.43313 _cell_length_c 5.8747 _cell_angle_alpha 90 _cell_angle_beta 102.987 _cell_angle_gamma 90 _chemical_formula_sum G134 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.74266 0.92836 0.33085 Biso 1.000 C C2 1.0000 0.53922 0.27354 0.36300 Biso 1.000 C C3 1.0000 0.03953 0.05384 0.29364 Biso 1.000 C C4 1.0000 0.96047 0.55384 0.70636 Biso 1.000 C C5 1.0000 0.69574 0.62738 0.51369 Biso 1.000 C C6 1.0000 0.34168 0.19560 0.89911 Biso 1.000 C C7 1.0000 0.59262 0.96903 0.87398 Biso 1.000 C C8 1.0000 0.46078 0.77354 0.63700 Biso 1.000 C C9 1.0000 0.08006 0.91766 0.88805 Biso 1.000 C C10 1.0000 0.13605 0.72041 0.12268 Biso 1.000 C C11 1.0000 0.65832 0.69560 0.10089 Biso 1.000 C C12 1.0000 0.91994 0.41766 0.11195 Biso 1.000 C C13 1.0000 0.86395 0.22041 0.87732 Biso 1.000 C C14 1.0000 0.40738 0.46903 0.12602 Biso 1.000 C C15 1.0000 0.30426 0.12738 0.48631 Biso 1.000 C C16 1.0000 0.25734 0.42836 0.66915 Biso 1.000 C data_G135 _cell_length_a 13.0561 _cell_length_b 2.52236 _cell_length_c 5.86499 _cell_angle_alpha 90 _cell_angle_beta 99.3998 _cell_angle_gamma 90 _chemical_formula_sum G135 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.37092 0.50000 0.24547 Biso 1.000 C C2 1.0000 0.18161 0.50000 0.67118 Biso 1.000 C C3 1.0000 0.11785 -0.00000 0.02141 Biso 1.000 C C4 1.0000 0.00786 0.00000 0.63054 Biso 1.000 C C5 1.0000 0.30091 0.50000 0.72087 Biso 1.000 C C6 1.0000 0.33941 -0.00000 0.60132 Biso 1.000 C C7 1.0000 0.99214 0.00000 0.36946 Biso 1.000 C C8 1.0000 0.44552 -0.00000 0.93974 Biso 1.000 C C9 1.0000 0.38215 0.50000 0.97859 Biso 1.000 C C10 1.0000 0.31839 0.00000 0.32882 Biso 1.000 C C11 1.0000 0.04639 0.50000 0.30637 Biso 1.000 C C12 1.0000 0.05448 0.50000 0.06026 Biso 1.000 C C13 1.0000 0.16059 0.50000 0.39868 Biso 1.000 C C14 1.0000 0.12908 0.00000 0.75453 Biso 1.000 C C15 1.0000 0.19909 0.00000 0.27913 Biso 1.000 C C16 1.0000 0.45361 -0.00000 0.69363 Biso 1.000 C C17 1.0000 0.87092 -0.00000 0.24547 Biso 1.000 C C18 1.0000 0.68161 -0.00000 0.67118 Biso 1.000 C C19 1.0000 0.61785 0.50000 0.02141 Biso 1.000 C C20 1.0000 0.50786 0.50000 0.63054 Biso 1.000 C C21 1.0000 0.80091 -0.00000 0.72087 Biso 1.000 C C22 1.0000 0.83941 0.50000 0.60132 Biso 1.000 C C23 1.0000 0.49214 0.50000 0.36946 Biso 1.000 C C24 1.0000 0.94552 0.50000 0.93974 Biso 1.000 C C25 1.0000 0.88215 0.00000 0.97859 Biso 1.000 C C26 1.0000 0.81839 0.50000 0.32882 Biso 1.000 C C27 1.0000 0.54639 -0.00000 0.30637 Biso 1.000 C C28 1.0000 0.55448 0.00000 0.06026 Biso 1.000 C C29 1.0000 0.66059 -0.00000 0.39868 Biso 1.000 C C30 1.0000 0.62908 0.50000 0.75453 Biso 1.000 C C31 1.0000 0.69909 0.50000 0.27913 Biso 1.000 C C32 1.0000 0.95361 0.50000 0.69363 Biso 1.000 C data_G136 _cell_length_a 3.46459 _cell_length_b 4.31491 _cell_length_c 6.70806 _cell_angle_alpha 81.3651 _cell_angle_beta 90.1145 _cell_angle_gamma 72.8915 _chemical_formula_sum G136 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.24326 0.80025 0.25624 Biso 1.000 C C2 1.0000 0.08751 0.30756 0.36845 Biso 1.000 C C3 1.0000 0.87407 0.37583 0.14846 Biso 1.000 C C4 1.0000 0.50985 0.42188 0.63662 Biso 1.000 C C5 1.0000 0.15712 0.59342 0.44523 Biso 1.000 C C6 1.0000 0.16812 0.98784 0.73231 Biso 1.000 C C7 1.0000 0.46843 0.63880 0.08936 Biso 1.000 C C8 1.0000 0.59162 0.73701 0.68496 Biso 1.000 C C9 1.0000 0.63548 0.94372 0.98116 Biso 1.000 C C10 1.0000 0.88303 0.15883 0.55026 Biso 1.000 C C11 1.0000 0.80620 0.04125 0.16132 Biso 1.000 C C12 1.0000 0.34439 0.22246 0.83956 Biso 1.000 C C13 1.0000 0.16203 0.47898 0.97587 Biso 1.000 C C14 1.0000 0.47618 0.01632 0.32205 Biso 1.000 C C15 1.0000 0.76005 0.86687 0.50076 Biso 1.000 C C16 1.0000 0.91095 0.77328 0.84411 Biso 1.000 C data_G137 _cell_length_a 2.50756 _cell_length_b 16.2176 _cell_length_c 3.4671 _cell_angle_alpha 90 _cell_angle_beta 97.1312 _cell_angle_gamma 90 _chemical_formula_sum G137 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.25359 0.00000 0.62731 Biso 1.000 C C2 1.0000 0.25420 0.42147 0.12911 Biso 1.000 C C3 1.0000 0.71438 0.15948 0.36560 Biso 1.000 C C4 1.0000 0.28562 0.15948 0.63440 Biso 1.000 C C5 1.0000 0.78562 0.34052 0.63440 Biso 1.000 C C6 1.0000 0.75420 0.07853 0.12911 Biso 1.000 C C7 1.0000 -0.00000 0.27751 -0.00000 Biso 1.000 C C8 1.0000 0.74580 0.42147 0.87089 Biso 1.000 C C9 1.0000 0.74641 0.00000 0.37269 Biso 1.000 C C10 1.0000 0.50000 0.22249 1.00000 Biso 1.000 C C11 1.0000 0.24580 0.07853 0.87089 Biso 1.000 C C12 1.0000 0.21438 0.34052 0.36560 Biso 1.000 C C13 1.0000 0.75359 0.50000 0.62731 Biso 1.000 C C14 1.0000 0.75420 0.92147 0.12911 Biso 1.000 C C15 1.0000 0.21438 0.65948 0.36560 Biso 1.000 C C16 1.0000 0.78562 0.65948 0.63440 Biso 1.000 C C17 1.0000 0.28562 0.84052 0.63440 Biso 1.000 C C18 1.0000 0.25420 0.57853 0.12911 Biso 1.000 C C19 1.0000 0.50000 0.77751 1.00000 Biso 1.000 C C20 1.0000 0.24580 0.92147 0.87089 Biso 1.000 C C21 1.0000 0.24641 0.50000 0.37269 Biso 1.000 C C22 1.0000 0.00000 0.72249 -0.00000 Biso 1.000 C C23 1.0000 0.74580 0.57853 0.87089 Biso 1.000 C C24 1.0000 0.71438 0.84052 0.36560 Biso 1.000 C data_G138 _cell_length_a 2.47489 _cell_length_b 9.75023 _cell_length_c 2.48671 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G138 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00000 0.20291 0.00000 Biso 1.000 C C2 1.0000 0.00000 0.79709 -0.00000 Biso 1.000 C C3 1.0000 0.00000 0.11348 0.50000 Biso 1.000 C C4 1.0000 0.00000 0.88652 0.50000 Biso 1.000 C C5 1.0000 0.50000 0.00000 0.50000 Biso 1.000 C C6 1.0000 0.50000 0.70291 0.00000 Biso 1.000 C C7 1.0000 0.50000 0.29709 -0.00000 Biso 1.000 C C8 1.0000 0.50000 0.61348 0.50000 Biso 1.000 C C9 1.0000 0.50000 0.38652 0.50000 Biso 1.000 C C10 1.0000 0.00000 0.50000 0.50000 Biso 1.000 C data_G141 _cell_length_a 4.93982 _cell_length_b 4.93982 _cell_length_c 4.19112 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G141 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.85026 0.35026 0.68549 Biso 1.000 C C2 1.0000 0.64974 0.85026 0.68549 Biso 1.000 C C3 1.0000 0.35026 0.85026 0.81451 Biso 1.000 C C4 1.0000 0.35026 0.14974 0.31451 Biso 1.000 C C5 1.0000 0.64974 0.85026 0.31451 Biso 1.000 C C6 1.0000 0.14974 0.64974 0.31451 Biso 1.000 C C7 1.0000 0.35026 0.14974 0.68549 Biso 1.000 C C8 1.0000 0.64974 0.14974 0.18549 Biso 1.000 C C9 1.0000 0.35026 0.85026 0.18549 Biso 1.000 C C10 1.0000 0.14974 0.35026 0.18549 Biso 1.000 C C11 1.0000 0.85026 0.35026 0.31451 Biso 1.000 C C12 1.0000 0.85026 0.64974 0.81451 Biso 1.000 C C13 1.0000 0.14974 0.35026 0.81451 Biso 1.000 C C14 1.0000 0.64974 0.14974 0.81451 Biso 1.000 C C15 1.0000 0.85026 0.64974 0.18549 Biso 1.000 C C16 1.0000 0.14974 0.64974 0.68549 Biso 1.000 C data_G142 _cell_length_a 4.01977 _cell_length_b 4.06108 _cell_length_c 4.5402 _cell_angle_alpha 92.9607 _cell_angle_beta 102.047 _cell_angle_gamma 92.073 _chemical_formula_sum G142 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.77692 0.37588 0.71660 Biso 1.000 C C2 1.0000 0.46111 0.83491 0.54004 Biso 1.000 C C3 1.0000 0.22308 0.62412 0.28340 Biso 1.000 C C4 1.0000 0.12854 0.26144 0.75709 Biso 1.000 C C5 1.0000 0.53889 0.16509 0.45996 Biso 1.000 C C6 1.0000 0.79951 0.14049 0.23827 Biso 1.000 C C7 1.0000 0.18116 0.29862 0.42024 Biso 1.000 C C8 1.0000 0.68142 0.45013 0.02329 Biso 1.000 C C9 1.0000 0.31858 0.54987 0.97671 Biso 1.000 C C10 1.0000 0.81884 0.70138 0.57976 Biso 1.000 C C11 1.0000 0.87146 0.73856 0.24291 Biso 1.000 C C12 1.0000 0.20049 0.85951 0.76173 Biso 1.000 C data_G143 _cell_length_a 2.51088 _cell_length_b 2.51089 _cell_length_c 4.17907 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _chemical_formula_sum G143 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.33333 0.66667 0.43726 Biso 1.000 C C2 1.0000 0.66667 0.33333 0.56274 Biso 1.000 C C3 1.0000 0.66667 0.33333 0.93726 Biso 1.000 C C4 1.0000 0.33333 0.66667 0.06274 Biso 1.000 C data_G144 _cell_length_a 4.2526 _cell_length_b 2.51252 _cell_length_c 4.87073 _cell_angle_alpha 90 _cell_angle_beta 115.886 _cell_angle_gamma 90 _chemical_formula_sum G144 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.01861 0.50000 0.66680 Biso 1.000 C C2 1.0000 0.40471 0.00000 0.17836 Biso 1.000 C C3 1.0000 0.59529 0.00000 0.82164 Biso 1.000 C C4 1.0000 0.98139 0.50000 0.33320 Biso 1.000 C C5 1.0000 0.22634 0.00000 0.82162 Biso 1.000 C C6 1.0000 0.35183 0.50000 0.33320 Biso 1.000 C C7 1.0000 0.77366 0.00000 0.17837 Biso 1.000 C C8 1.0000 0.64817 0.50000 0.66680 Biso 1.000 C data_G145 _cell_length_a 7.02912 _cell_length_b 4.37325 _cell_length_c 3.48889 _cell_angle_alpha 90 _cell_angle_beta 90.002 _cell_angle_gamma 90 _chemical_formula_sum G145 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.49790 0.67962 0.75515 Biso 1.000 C C2 1.0000 0.49791 0.82407 0.36637 Biso 1.000 C C3 1.0000 0.65094 0.81865 0.03402 Biso 1.000 C C4 1.0000 0.99790 0.82038 0.75515 Biso 1.000 C C5 1.0000 0.99791 0.67593 0.36637 Biso 1.000 C C6 1.0000 0.34487 0.81865 0.03401 Biso 1.000 C C7 1.0000 0.15094 0.68135 0.03402 Biso 1.000 C C8 1.0000 0.84487 0.68135 0.03401 Biso 1.000 C C9 1.0000 0.99790 0.17962 0.75515 Biso 1.000 C C10 1.0000 0.99791 0.32407 0.36637 Biso 1.000 C C11 1.0000 0.15094 0.31865 0.03402 Biso 1.000 C C12 1.0000 0.49790 0.32038 0.75515 Biso 1.000 C C13 1.0000 0.49791 0.17593 0.36637 Biso 1.000 C C14 1.0000 0.84487 0.31865 0.03401 Biso 1.000 C C15 1.0000 0.65094 0.18135 0.03402 Biso 1.000 C C16 1.0000 0.34487 0.18135 0.03401 Biso 1.000 C data_G146 _cell_length_a 4.78883 _cell_length_b 6.94463 _cell_length_c 3.34155 _cell_angle_alpha 90 _cell_angle_beta 112.614 _cell_angle_gamma 90 _chemical_formula_sum G146 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.84569 0.50000 0.32950 Biso 1.000 C C2 1.0000 0.17504 0.65530 0.01060 Biso 1.000 C C3 1.0000 0.32496 0.84470 0.98940 Biso 1.000 C C4 1.0000 0.82496 0.65530 0.98940 Biso 1.000 C C5 1.0000 0.15431 0.50000 0.67050 Biso 1.000 C C6 1.0000 0.83202 0.00000 0.38856 Biso 1.000 C C7 1.0000 0.16798 -0.00000 0.61144 Biso 1.000 C C8 1.0000 0.67504 0.84470 0.01060 Biso 1.000 C C9 1.0000 0.34569 0.00000 0.32950 Biso 1.000 C C10 1.0000 0.67504 0.15530 0.01060 Biso 1.000 C C11 1.0000 0.82496 0.34470 0.98940 Biso 1.000 C C12 1.0000 0.32496 0.15530 0.98940 Biso 1.000 C C13 1.0000 0.65431 0.00000 0.67050 Biso 1.000 C C14 1.0000 0.33202 0.50000 0.38856 Biso 1.000 C C15 1.0000 0.66798 0.50000 0.61144 Biso 1.000 C C16 1.0000 0.17504 0.34470 0.01060 Biso 1.000 C data_G147 _cell_length_a 4.12577 _cell_length_b 9.3171 _cell_length_c 2.52222 _cell_angle_alpha 90 _cell_angle_beta 101.222 _cell_angle_gamma 90 _chemical_formula_sum G147 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.88447 0.81109 0.47447 Biso 1.000 C C2 1.0000 0.80647 0.54750 0.65955 Biso 1.000 C C3 1.0000 0.19353 0.45250 0.34045 Biso 1.000 C C4 1.0000 0.11553 0.81109 0.02553 Biso 1.000 C C5 1.0000 0.80647 0.45250 0.15955 Biso 1.000 C C6 1.0000 0.61553 0.68891 0.52553 Biso 1.000 C C7 1.0000 0.38447 0.68891 0.97447 Biso 1.000 C C8 1.0000 0.19353 0.54750 0.84045 Biso 1.000 C C9 1.0000 0.38447 0.31109 0.47447 Biso 1.000 C C10 1.0000 0.30647 0.04750 0.65955 Biso 1.000 C C11 1.0000 0.69353 0.95250 0.34045 Biso 1.000 C C12 1.0000 0.61553 0.31109 0.02553 Biso 1.000 C C13 1.0000 0.30647 0.95250 0.15955 Biso 1.000 C C14 1.0000 0.11553 0.18891 0.52553 Biso 1.000 C C15 1.0000 0.88447 0.18891 0.97447 Biso 1.000 C C16 1.0000 0.69353 0.04750 0.84045 Biso 1.000 C data_G149 _cell_length_a 3.3828 _cell_length_b 3.51411 _cell_length_c 6.26903 _cell_angle_alpha 91.5156 _cell_angle_beta 90.816 _cell_angle_gamma 91.1614 _chemical_formula_sum G149 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.96562 0.80398 0.94871 Biso 1.000 C C2 1.0000 0.44340 0.46854 0.70377 Biso 1.000 C C3 1.0000 0.88602 0.35895 0.43252 Biso 1.000 C C4 1.0000 0.55660 0.53146 0.29623 Biso 1.000 C C5 1.0000 0.63461 0.11800 0.58254 Biso 1.000 C C6 1.0000 0.11398 0.64105 0.56748 Biso 1.000 C C7 1.0000 0.68908 0.52115 0.06586 Biso 1.000 C C8 1.0000 0.31092 0.47885 0.93414 Biso 1.000 C C9 1.0000 0.36539 0.88200 0.41746 Biso 1.000 C C10 1.0000 0.19846 0.20467 0.28633 Biso 1.000 C C11 1.0000 0.80154 0.79533 0.71367 Biso 1.000 C C12 1.0000 0.03438 0.19602 0.05129 Biso 1.000 C data_G150 _cell_length_a 4.15696 _cell_length_b 3.38586 _cell_length_c 5.29165 _cell_angle_alpha 90 _cell_angle_beta 100.931 _cell_angle_gamma 90 _chemical_formula_sum G150 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.76930 0.01596 0.94200 Biso 1.000 C C2 1.0000 0.72610 0.69338 0.51111 Biso 1.000 C C3 1.0000 0.52662 0.92023 0.69479 Biso 1.000 C C4 1.0000 0.94738 0.95778 0.34961 Biso 1.000 C C5 1.0000 0.25395 0.77092 0.82030 Biso 1.000 C C6 1.0000 0.74605 0.27092 0.17970 Biso 1.000 C C7 1.0000 0.23070 0.51596 0.05800 Biso 1.000 C C8 1.0000 0.07876 0.16142 0.87233 Biso 1.000 C C9 1.0000 0.05262 0.45778 0.65039 Biso 1.000 C C10 1.0000 0.27390 0.19338 0.48889 Biso 1.000 C C11 1.0000 0.47338 0.42023 0.30521 Biso 1.000 C C12 1.0000 0.92124 0.66142 0.12767 Biso 1.000 C data_G151 _cell_length_a 3.41849 _cell_length_b 3.41768 _cell_length_c 6.3953 _cell_angle_alpha 74.7655 _cell_angle_beta 88.487 _cell_angle_gamma 85.0847 _chemical_formula_sum G151 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.94168 0.16280 0.78879 Biso 1.000 C C2 1.0000 0.54267 0.21727 0.43746 Biso 1.000 C C3 1.0000 0.18727 0.57290 0.43556 Biso 1.000 C C4 1.0000 0.30256 0.80285 0.78526 Biso 1.000 C C5 1.0000 0.81273 0.42710 0.56444 Biso 1.000 C C6 1.0000 0.45733 0.78273 0.56254 Biso 1.000 C C7 1.0000 0.13424 0.42165 0.92426 Biso 1.000 C C8 1.0000 0.86576 0.57835 0.07574 Biso 1.000 C C9 1.0000 0.05832 0.83720 0.21121 Biso 1.000 C C10 1.0000 0.61520 0.90446 0.92380 Biso 1.000 C C11 1.0000 0.38480 0.09554 0.07620 Biso 1.000 C C12 1.0000 0.69744 0.19715 0.21474 Biso 1.000 C data_G152 _cell_length_a 3.87328 _cell_length_b 4.49023 _cell_length_c 4.35338 _cell_angle_alpha 90 _cell_angle_beta 90.6816 _cell_angle_gamma 90 _chemical_formula_sum G152 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.86893 0.29008 0.68562 Biso 1.000 C C2 1.0000 0.48343 0.61913 0.33858 Biso 1.000 C C3 1.0000 0.83863 0.60458 0.81836 Biso 1.000 C C4 1.0000 0.51657 0.11913 0.66142 Biso 1.000 C C5 1.0000 0.16137 0.10458 0.18164 Biso 1.000 C C6 1.0000 0.47003 0.25621 0.34474 Biso 1.000 C C7 1.0000 0.13107 0.79008 0.31438 Biso 1.000 C C8 1.0000 0.83988 0.60509 0.17486 Biso 1.000 C C9 1.0000 0.13069 0.79214 0.68842 Biso 1.000 C C10 1.0000 0.86931 0.29214 0.31158 Biso 1.000 C C11 1.0000 0.52997 0.75621 0.65526 Biso 1.000 C C12 1.0000 0.16012 0.10509 0.82514 Biso 1.000 C data_G153 _cell_length_a 2.51521 _cell_length_b 2.5152 _cell_length_c 18.7224 _cell_angle_alpha 89.9993 _cell_angle_beta 90.0011 _cell_angle_gamma 120.003 _chemical_formula_sum G153 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.33338 0.66669 0.62545 Biso 1.000 C C2 1.0000 0.66669 0.33330 0.51397 Biso 1.000 C C3 1.0000 0.66674 0.33331 0.59767 Biso 1.000 C C4 1.0000 0.99993 0.00003 0.73566 Biso 1.000 C C5 1.0000 0.33329 0.66664 0.70789 Biso 1.000 C C6 1.0000 0.99998 0.00003 0.81936 Biso 1.000 C C7 1.0000 0.00005 0.00003 0.95878 Biso 1.000 C C8 1.0000 0.33336 0.66664 0.84731 Biso 1.000 C C9 1.0000 0.33341 0.66664 0.93100 Biso 1.000 C C10 1.0000 0.66659 0.33336 0.06900 Biso 1.000 C C11 1.0000 0.99995 0.99997 0.04122 Biso 1.000 C C12 1.0000 0.66664 0.33336 0.15269 Biso 1.000 C C13 1.0000 0.66671 0.33336 0.29211 Biso 1.000 C C14 1.0000 0.00002 0.99997 0.18064 Biso 1.000 C C15 1.0000 0.00007 0.99997 0.26434 Biso 1.000 C C16 1.0000 0.33326 0.66669 0.40233 Biso 1.000 C C17 1.0000 0.66662 0.33331 0.37455 Biso 1.000 C C18 1.0000 0.33331 0.66670 0.48603 Biso 1.000 C data_G154 _cell_length_a 5.11003 _cell_length_b 3.78951 _cell_length_c 3.47877 _cell_angle_alpha 90 _cell_angle_beta 110.097 _cell_angle_gamma 90 _chemical_formula_sum G154 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.89777 0.70116 0.62770 Biso 1.000 C C2 1.0000 0.50000 0.50000 1.00000 Biso 1.000 C C3 1.0000 0.10223 0.29884 0.37230 Biso 1.000 C C4 1.0000 0.89777 0.29884 0.62770 Biso 1.000 C C5 1.0000 0.60223 0.20116 0.37230 Biso 1.000 C C6 1.0000 0.39777 0.20116 0.62770 Biso 1.000 C C7 1.0000 0.00000 0.00000 0.00000 Biso 1.000 C C8 1.0000 0.60223 0.79884 0.37230 Biso 1.000 C C9 1.0000 0.39777 0.79884 0.62770 Biso 1.000 C C10 1.0000 0.10223 0.70116 0.37230 Biso 1.000 C data_G155 _cell_length_a 4.04815 _cell_length_b 4.04817 _cell_length_c 2.46071 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 119.999 _chemical_formula_sum G155 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.38398 0.38398 0.66672 Biso 1.000 C C2 1.0000 0.61603 1.00000 0.00002 Biso 1.000 C C3 1.0000 0.38397 0.00000 0.50002 Biso 1.000 C C4 1.0000 0.99999 0.61602 0.33327 Biso 1.000 C C5 1.0000 0.00001 0.38398 0.83327 Biso 1.000 C C6 1.0000 0.61602 0.61602 0.16672 Biso 1.000 C data_G156 _cell_length_a 3.44666 _cell_length_b 4.31991 _cell_length_c 5.88031 _cell_angle_alpha 94.191 _cell_angle_beta 98.6693 _cell_angle_gamma 106.029 _chemical_formula_sum G156 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.86482 0.31443 0.28318 Biso 1.000 C C2 1.0000 0.11116 0.70846 0.66945 Biso 1.000 C C3 1.0000 0.86314 0.15947 0.85020 Biso 1.000 C C4 1.0000 0.21012 0.53655 0.45826 Biso 1.000 C C5 1.0000 0.46628 0.85935 0.88734 Biso 1.000 C C6 1.0000 0.76690 0.45156 0.76598 Biso 1.000 C C7 1.0000 0.12366 0.20985 0.09625 Biso 1.000 C C8 1.0000 0.67116 0.06915 0.43255 Biso 1.000 C C9 1.0000 0.18010 0.87005 0.08204 Biso 1.000 C C10 1.0000 0.01404 0.03524 0.63202 Biso 1.000 C C11 1.0000 0.55379 0.47854 0.16142 Biso 1.000 C C12 1.0000 0.41083 0.28047 0.57019 Biso 1.000 C C13 1.0000 0.41967 0.75276 0.29690 Biso 1.000 C C14 1.0000 0.72582 0.64815 0.97175 Biso 1.000 C data_G157 _cell_length_a 3.36928 _cell_length_b 3.45365 _cell_length_c 5.42076 _cell_angle_alpha 98.9431 _cell_angle_beta 98.3858 _cell_angle_gamma 92.5393 _chemical_formula_sum G157 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00580 0.11671 0.14453 Biso 1.000 C C2 1.0000 0.55270 0.87651 0.41881 Biso 1.000 C C3 1.0000 0.21858 0.98231 0.57292 Biso 1.000 C C4 1.0000 0.91087 0.20553 0.41915 Biso 1.000 C C5 1.0000 0.42349 0.21273 0.82632 Biso 1.000 C C6 1.0000 0.63214 0.91839 0.97625 Biso 1.000 C C7 1.0000 0.13387 0.42314 0.99340 Biso 1.000 C C8 1.0000 0.75887 0.54671 0.82035 Biso 1.000 C C9 1.0000 0.86382 0.61940 0.55684 Biso 1.000 C C10 1.0000 0.33831 0.80602 0.14305 Biso 1.000 C data_G158 _cell_length_a 11.0272 _cell_length_b 2.52159 _cell_length_c 3.73775 _cell_angle_alpha 90 _cell_angle_beta 109.815 _cell_angle_gamma 90 _chemical_formula_sum G158 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.82736 0.50000 0.19523 Biso 1.000 C C2 1.0000 0.43906 0.50000 0.80871 Biso 1.000 C C3 1.0000 0.56094 0.00000 0.43063 Biso 1.000 C C4 1.0000 0.56094 0.50000 0.19129 Biso 1.000 C C5 1.0000 0.67264 -0.00000 0.80477 Biso 1.000 C C6 1.0000 0.43906 -0.00000 0.56937 Biso 1.000 C C7 1.0000 0.67265 0.50000 0.04054 Biso 1.000 C C8 1.0000 0.82735 0.00000 0.95946 Biso 1.000 C C9 1.0000 0.32736 0.00000 0.19523 Biso 1.000 C C10 1.0000 0.93906 0.00000 0.80871 Biso 1.000 C C11 1.0000 0.06094 0.50000 0.43063 Biso 1.000 C C12 1.0000 0.06094 -0.00000 0.19129 Biso 1.000 C C13 1.0000 0.17264 0.50000 0.80477 Biso 1.000 C C14 1.0000 0.93907 0.50000 0.56937 Biso 1.000 C C15 1.0000 0.17265 -0.00000 0.04054 Biso 1.000 C C16 1.0000 0.32735 0.50000 0.95946 Biso 1.000 C data_G159 _cell_length_a 8.79348 _cell_length_b 5.03732 _cell_length_c 4.26289 _cell_angle_alpha 90 _cell_angle_beta 99.1923 _cell_angle_gamma 90 _chemical_formula_sum G159 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.95208 0.24386 0.32783 Biso 1.000 C C2 1.0000 0.02260 0.50000 0.17587 Biso 1.000 C C3 1.0000 0.05663 0.00000 0.89709 Biso 1.000 C C4 1.0000 0.20213 0.50000 0.17974 Biso 1.000 C C5 1.0000 0.77145 0.74801 0.33525 Biso 1.000 C C6 1.0000 0.77145 0.25199 0.33525 Biso 1.000 C C7 1.0000 0.22137 -0.00000 0.12215 Biso 1.000 C C8 1.0000 0.22855 0.74801 0.66475 Biso 1.000 C C9 1.0000 0.77863 0.00000 0.87785 Biso 1.000 C C10 1.0000 0.94337 0.00000 0.10291 Biso 1.000 C C11 1.0000 0.79787 0.50000 0.82026 Biso 1.000 C C12 1.0000 0.95208 0.75614 0.32783 Biso 1.000 C C13 1.0000 0.22855 0.25199 0.66475 Biso 1.000 C C14 1.0000 0.97740 0.50000 0.82413 Biso 1.000 C C15 1.0000 0.04792 0.24386 0.67217 Biso 1.000 C C16 1.0000 0.04792 0.75614 0.67217 Biso 1.000 C C17 1.0000 0.45208 0.74386 0.32783 Biso 1.000 C C18 1.0000 0.52260 0.00000 0.17587 Biso 1.000 C C19 1.0000 0.55663 0.50000 0.89709 Biso 1.000 C C20 1.0000 0.70213 -0.00000 0.17974 Biso 1.000 C C21 1.0000 0.27145 0.24801 0.33525 Biso 1.000 C C22 1.0000 0.27145 0.75199 0.33525 Biso 1.000 C C23 1.0000 0.72137 0.50000 0.12215 Biso 1.000 C C24 1.0000 0.72855 0.24801 0.66475 Biso 1.000 C C25 1.0000 0.27863 0.50000 0.87785 Biso 1.000 C C26 1.0000 0.44337 0.50000 0.10291 Biso 1.000 C C27 1.0000 0.29787 0.00000 0.82026 Biso 1.000 C C28 1.0000 0.45208 0.25614 0.32783 Biso 1.000 C C29 1.0000 0.72855 0.75199 0.66475 Biso 1.000 C C30 1.0000 0.47740 0.00000 0.82413 Biso 1.000 C C31 1.0000 0.54792 0.74386 0.67217 Biso 1.000 C C32 1.0000 0.54792 0.25614 0.67217 Biso 1.000 C data_G160 _cell_length_a 3.87764 _cell_length_b 4.47751 _cell_length_c 5.85837 _cell_angle_alpha 99.7944 _cell_angle_beta 93.9245 _cell_angle_gamma 98.926 _chemical_formula_sum G160 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.70363 0.62001 0.15476 Biso 1.000 C C2 1.0000 0.12746 0.21166 0.91330 Biso 1.000 C C3 1.0000 0.33674 0.61797 0.50045 Biso 1.000 C C4 1.0000 0.55486 0.12899 0.35785 Biso 1.000 C C5 1.0000 0.69057 0.25511 0.14650 Biso 1.000 C C6 1.0000 0.07414 0.77787 0.12817 Biso 1.000 C C7 1.0000 0.79530 0.06385 0.74346 Biso 1.000 C C8 1.0000 0.22967 0.26781 0.39275 Biso 1.000 C C9 1.0000 0.87980 0.22187 0.53724 Biso 1.000 C C10 1.0000 0.54585 0.57123 0.89710 Biso 1.000 C C11 1.0000 0.41873 0.78375 0.29762 Biso 1.000 C C12 1.0000 0.03978 0.14268 0.14235 Biso 1.000 C C13 1.0000 0.16380 0.56559 0.89828 Biso 1.000 C C14 1.0000 0.52577 0.21745 0.88803 Biso 1.000 C C15 1.0000 0.99819 0.56718 0.64845 Biso 1.000 C C16 1.0000 0.67894 0.71510 0.69109 Biso 1.000 C data_G161 _cell_length_a 3.41684 _cell_length_b 5.01935 _cell_length_c 5.81819 _cell_angle_alpha 97.0538 _cell_angle_beta 90.5006 _cell_angle_gamma 104.899 _chemical_formula_sum G161 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.30069 0.89507 0.50301 Biso 1.000 C C2 1.0000 0.59112 0.04389 0.16342 Biso 1.000 C C3 1.0000 0.67867 0.04883 0.67308 Biso 1.000 C C4 1.0000 0.16950 0.46609 0.16821 Biso 1.000 C C5 1.0000 0.42368 0.38022 0.95361 Biso 1.000 C C6 1.0000 0.93084 0.82269 0.65415 Biso 1.000 C C7 1.0000 0.87525 0.60208 0.03740 Biso 1.000 C C8 1.0000 0.47919 0.07073 0.91690 Biso 1.000 C C9 1.0000 0.88328 0.32752 0.57326 Biso 1.000 C C10 1.0000 0.46613 0.65876 0.36213 Biso 1.000 C C11 1.0000 0.62823 0.54959 0.56990 Biso 1.000 C C12 1.0000 0.96572 0.24241 0.30986 Biso 1.000 C C13 1.0000 0.19376 0.01645 0.30106 Biso 1.000 C C14 1.0000 0.78114 0.81147 0.20897 Biso 1.000 C C15 1.0000 0.28513 0.49711 0.73835 Biso 1.000 C C16 1.0000 0.13568 0.75760 0.85471 Biso 1.000 C data_G162 _cell_length_a 3.44057 _cell_length_b 4.77515 _cell_length_c 6.34391 _cell_angle_alpha 72.739 _cell_angle_beta 86.0024 _cell_angle_gamma 72.4363 _chemical_formula_sum G162 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.30578 0.03763 0.15879 Biso 1.000 C C2 1.0000 0.74132 0.80033 0.26113 Biso 1.000 C C3 1.0000 0.69733 0.26564 0.79600 Biso 1.000 C C4 1.0000 0.70109 0.46708 0.31729 Biso 1.000 C C5 1.0000 0.13377 0.64349 0.61483 Biso 1.000 C C6 1.0000 0.06186 0.15141 0.35040 Biso 1.000 C C7 1.0000 0.08593 0.83376 0.09831 Biso 1.000 C C8 1.0000 0.65232 0.71277 0.88357 Biso 1.000 C C9 1.0000 0.47292 0.38105 0.55219 Biso 1.000 C C10 1.0000 0.28789 0.85092 0.72221 Biso 1.000 C C11 1.0000 0.44242 0.55313 0.09046 Biso 1.000 C C12 1.0000 0.91347 0.93595 0.86808 Biso 1.000 C C13 1.0000 0.82502 0.90818 0.44713 Biso 1.000 C C14 1.0000 0.34476 0.31748 0.97563 Biso 1.000 C C15 1.0000 0.38980 0.08895 0.52824 Biso 1.000 C C16 1.0000 0.95732 0.46609 0.81718 Biso 1.000 C data_G163 _cell_length_a 3.38479 _cell_length_b 4.73397 _cell_length_c 6.46573 _cell_angle_alpha 101.972 _cell_angle_beta 92.8554 _cell_angle_gamma 108.357 _chemical_formula_sum G163 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.69916 0.06114 0.75518 Biso 1.000 C C2 1.0000 0.50464 0.34800 0.50884 Biso 1.000 C C3 1.0000 0.09487 0.61648 0.83235 Biso 1.000 C C4 1.0000 0.72968 0.20203 0.32987 Biso 1.000 C C5 1.0000 0.49536 0.65200 0.49116 Biso 1.000 C C6 1.0000 0.27032 0.79797 0.67013 Biso 1.000 C C7 1.0000 0.90513 0.38352 0.16765 Biso 1.000 C C8 1.0000 0.30084 0.93886 0.24482 Biso 1.000 C C9 1.0000 0.34665 0.63994 0.26357 Biso 1.000 C C10 1.0000 0.64698 0.58247 0.09961 Biso 1.000 C C11 1.0000 0.97727 0.14945 0.96814 Biso 1.000 C C12 1.0000 0.07802 0.09260 0.41978 Biso 1.000 C C13 1.0000 0.65335 0.36006 0.73643 Biso 1.000 C C14 1.0000 0.92198 0.90740 0.58022 Biso 1.000 C C15 1.0000 0.02273 0.85055 0.03186 Biso 1.000 C C16 1.0000 0.35302 0.41753 0.90039 Biso 1.000 C data_G164 _cell_length_a 10.2029 _cell_length_b 4.36707 _cell_length_c 4.5419 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G164 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.57789 0.06975 0.34453 Biso 1.000 C C2 1.0000 0.42211 0.56975 0.65547 Biso 1.000 C C3 1.0000 0.18326 0.07100 0.65506 Biso 1.000 C C4 1.0000 0.42211 0.06975 0.34453 Biso 1.000 C C5 1.0000 0.42211 0.93025 0.65547 Biso 1.000 C C6 1.0000 0.31674 0.07100 0.84494 Biso 1.000 C C7 1.0000 0.31674 0.92900 0.15506 Biso 1.000 C C8 1.0000 0.57789 0.43025 0.34453 Biso 1.000 C C9 1.0000 0.31674 0.57100 0.15506 Biso 1.000 C C10 1.0000 0.18326 0.42900 0.65506 Biso 1.000 C C11 1.0000 0.18326 0.57100 0.34494 Biso 1.000 C C12 1.0000 0.57789 0.93025 0.65547 Biso 1.000 C C13 1.0000 0.31674 0.42900 0.84494 Biso 1.000 C C14 1.0000 0.57789 0.56975 0.65547 Biso 1.000 C C15 1.0000 0.18326 0.92900 0.34494 Biso 1.000 C C16 1.0000 0.42211 0.43025 0.34453 Biso 1.000 C C17 1.0000 0.07789 0.56975 0.84453 Biso 1.000 C C18 1.0000 0.92211 0.06975 0.15547 Biso 1.000 C C19 1.0000 0.68326 0.57100 0.15506 Biso 1.000 C C20 1.0000 0.92211 0.56975 0.84453 Biso 1.000 C C21 1.0000 0.92211 0.43025 0.15547 Biso 1.000 C C22 1.0000 0.81674 0.57100 0.34494 Biso 1.000 C C23 1.0000 0.81674 0.42900 0.65506 Biso 1.000 C C24 1.0000 0.07789 0.93025 0.84453 Biso 1.000 C C25 1.0000 0.81674 0.07100 0.65506 Biso 1.000 C C26 1.0000 0.68326 0.92900 0.15506 Biso 1.000 C C27 1.0000 0.68326 0.07100 0.84494 Biso 1.000 C C28 1.0000 0.07789 0.43025 0.15547 Biso 1.000 C C29 1.0000 0.81674 0.92900 0.34494 Biso 1.000 C C30 1.0000 0.07789 0.06975 0.15547 Biso 1.000 C C31 1.0000 0.68326 0.42900 0.84494 Biso 1.000 C C32 1.0000 0.92211 0.93025 0.84453 Biso 1.000 C data_G165 _cell_length_a 12.3186 _cell_length_b 2.52364 _cell_length_c 6.27563 _cell_angle_alpha 90 _cell_angle_beta 104.078 _cell_angle_gamma 90 _chemical_formula_sum G165 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.09170 0.00000 0.90974 Biso 1.000 C C2 1.0000 0.31934 0.50000 0.57184 Biso 1.000 C C3 1.0000 0.21473 0.00000 0.25423 Biso 1.000 C C4 1.0000 0.06584 0.50000 0.57125 Biso 1.000 C C5 1.0000 0.24541 0.00000 0.50220 Biso 1.000 C C6 1.0000 0.96233 0.50000 0.36782 Biso 1.000 C C7 1.0000 0.93496 0.50000 0.90146 Biso 1.000 C C8 1.0000 0.26485 0.50000 0.93212 Biso 1.000 C C9 1.0000 0.27501 0.50000 0.18985 Biso 1.000 C C10 1.0000 0.86660 0.00000 0.83348 Biso 1.000 C C11 1.0000 0.14422 0.00000 0.60022 Biso 1.000 C C12 1.0000 0.88908 0.00000 0.37621 Biso 1.000 C C13 1.0000 0.08659 0.00000 0.14581 Biso 1.000 C C14 1.0000 0.01367 0.50000 0.15924 Biso 1.000 C C15 1.0000 0.19820 0.00000 0.84875 Biso 1.000 C C16 1.0000 0.03471 0.50000 0.80211 Biso 1.000 C C17 1.0000 0.59170 0.50000 0.90974 Biso 1.000 C C18 1.0000 0.81934 0.00000 0.57184 Biso 1.000 C C19 1.0000 0.71473 0.50000 0.25423 Biso 1.000 C C20 1.0000 0.56584 0.00000 0.57125 Biso 1.000 C C21 1.0000 0.74541 0.50000 0.50220 Biso 1.000 C C22 1.0000 0.46233 0.00000 0.36782 Biso 1.000 C C23 1.0000 0.43496 0.00000 0.90146 Biso 1.000 C C24 1.0000 0.76485 0.00000 0.93212 Biso 1.000 C C25 1.0000 0.77501 0.00000 0.18985 Biso 1.000 C C26 1.0000 0.36660 0.50000 0.83348 Biso 1.000 C C27 1.0000 0.64422 0.50000 0.60022 Biso 1.000 C C28 1.0000 0.38908 0.50000 0.37621 Biso 1.000 C C29 1.0000 0.58659 0.50000 0.14581 Biso 1.000 C C30 1.0000 0.51367 0.00000 0.15924 Biso 1.000 C C31 1.0000 0.69820 0.50000 0.84875 Biso 1.000 C C32 1.0000 0.53471 0.00000 0.80211 Biso 1.000 C data_G166 _cell_length_a 3.47049 _cell_length_b 5.22728 _cell_length_c 5.3277 _cell_angle_alpha 91.1321 _cell_angle_beta 98.6148 _cell_angle_gamma 93.4114 _chemical_formula_sum G166 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.38935 0.27822 0.69006 Biso 1.000 C C2 1.0000 0.60999 0.85505 0.06034 Biso 1.000 C C3 1.0000 0.63865 0.52368 0.65849 Biso 1.000 C C4 1.0000 0.08283 0.27387 0.43104 Biso 1.000 C C5 1.0000 0.17802 0.28251 0.94729 Biso 1.000 C C6 1.0000 0.66203 0.02140 0.67156 Biso 1.000 C C7 1.0000 0.39806 0.76975 0.63498 Biso 1.000 C C8 1.0000 0.86437 0.02480 0.44380 Biso 1.000 C C9 1.0000 0.22860 0.78291 0.87534 Biso 1.000 C C10 1.0000 0.86409 0.64857 0.18580 Biso 1.000 C C11 1.0000 0.92718 0.00332 0.90759 Biso 1.000 C C12 1.0000 0.16145 0.83197 0.37801 Biso 1.000 C C13 1.0000 0.49272 0.99826 0.26505 Biso 1.000 C C14 1.0000 0.37675 0.26949 0.23499 Biso 1.000 C C15 1.0000 0.74248 0.45147 0.37239 Biso 1.000 C C16 1.0000 0.98038 0.54047 0.92055 Biso 1.000 C data_G167 _cell_length_a 3.42581 _cell_length_b 5.21445 _cell_length_c 5.60098 _cell_angle_alpha 90 _cell_angle_beta 106.997 _cell_angle_gamma 90 _chemical_formula_sum G167 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.36877 0.99484 0.85590 Biso 1.000 C C2 1.0000 0.50000 0.54764 0.75000 Biso 1.000 C C3 1.0000 0.36877 0.00516 0.35590 Biso 1.000 C C4 1.0000 0.63123 0.00516 0.14410 Biso 1.000 C C5 1.0000 0.63123 0.99484 0.64410 Biso 1.000 C C6 1.0000 1.00000 0.20054 0.75000 Biso 1.000 C C7 1.0000 0.78518 0.72739 0.65678 Biso 1.000 C C8 1.0000 0.50000 0.45236 0.25000 Biso 1.000 C C9 1.0000 0.15434 0.60749 0.06869 Biso 1.000 C C10 1.0000 0.78518 0.27261 0.15678 Biso 1.000 C C11 1.0000 1.00000 0.79946 0.25000 Biso 1.000 C C12 1.0000 0.15434 0.39251 0.56869 Biso 1.000 C C13 1.0000 0.21482 0.72739 0.84322 Biso 1.000 C C14 1.0000 0.21482 0.27261 0.34322 Biso 1.000 C C15 1.0000 0.84566 0.60749 0.43131 Biso 1.000 C C16 1.0000 0.84566 0.39251 0.93131 Biso 1.000 C data_G169 _cell_length_a 12.3701 _cell_length_b 2.52726 _cell_length_c 6.33551 _cell_angle_alpha 90 _cell_angle_beta 104.739 _cell_angle_gamma 90 _chemical_formula_sum G169 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.53676 0.50000 0.79367 Biso 1.000 C C2 1.0000 0.32210 0.00000 0.24130 Biso 1.000 C C3 1.0000 0.60740 0.50000 0.61681 Biso 1.000 C C4 1.0000 0.18600 0.50000 0.66294 Biso 1.000 C C5 1.0000 0.26181 0.50000 0.28717 Biso 1.000 C C6 1.0000 0.42989 0.00000 0.41059 Biso 1.000 C C7 1.0000 0.43935 0.00000 0.01519 Biso 1.000 C C8 1.0000 0.24731 0.50000 0.91553 Biso 1.000 C C9 1.0000 0.28655 0.50000 0.54551 Biso 1.000 C C10 1.0000 0.49953 0.50000 0.13571 Biso 1.000 C C11 1.0000 0.31684 0.00000 0.00096 Biso 1.000 C C12 1.0000 0.46411 0.00000 0.79109 Biso 1.000 C C13 1.0000 0.50081 0.50000 0.39531 Biso 1.000 C C14 1.0000 0.16848 0.50000 0.07856 Biso 1.000 C C15 1.0000 0.60031 0.50000 0.03704 Biso 1.000 C C16 1.0000 0.36550 0.00000 0.59622 Biso 1.000 C C17 1.0000 0.03676 0.00000 0.79367 Biso 1.000 C C18 1.0000 0.82210 0.50000 0.24130 Biso 1.000 C C19 1.0000 0.10740 0.00000 0.61681 Biso 1.000 C C20 1.0000 0.68600 0.00000 0.66294 Biso 1.000 C C21 1.0000 0.76181 0.00000 0.28717 Biso 1.000 C C22 1.0000 0.92989 0.50000 0.41059 Biso 1.000 C C23 1.0000 0.93935 0.50000 0.01519 Biso 1.000 C C24 1.0000 0.74731 0.00000 0.91553 Biso 1.000 C C25 1.0000 0.78655 0.00000 0.54551 Biso 1.000 C C26 1.0000 0.99953 0.00000 0.13571 Biso 1.000 C C27 1.0000 0.81684 0.50000 0.00096 Biso 1.000 C C28 1.0000 0.96411 0.50000 0.79109 Biso 1.000 C C29 1.0000 0.00081 0.00000 0.39531 Biso 1.000 C C30 1.0000 0.66848 0.00000 0.07856 Biso 1.000 C C31 1.0000 0.10031 0.00000 0.03704 Biso 1.000 C C32 1.0000 0.86550 0.50000 0.59622 Biso 1.000 C data_G170 _cell_length_a 12.2686 _cell_length_b 2.52253 _cell_length_c 6.69395 _cell_angle_alpha 90 _cell_angle_beta 113.944 _cell_angle_gamma 90 _chemical_formula_sum G170 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.23371 0.50000 0.46739 Biso 1.000 C C2 1.0000 0.99101 0.00000 0.04829 Biso 1.000 C C3 1.0000 0.26388 0.50000 0.25055 Biso 1.000 C C4 1.0000 0.10460 0.00000 0.65383 Biso 1.000 C C5 1.0000 0.93967 0.50000 0.70954 Biso 1.000 C C6 1.0000 0.85971 0.00000 0.68187 Biso 1.000 C C7 1.0000 0.83359 0.50000 0.22854 Biso 1.000 C C8 1.0000 0.17805 0.00000 0.89784 Biso 1.000 C C9 1.0000 0.02360 0.50000 0.59325 Biso 1.000 C C10 1.0000 0.96910 0.50000 0.34714 Biso 1.000 C C11 1.0000 0.15518 0.50000 0.00747 Biso 1.000 C C12 1.0000 0.85678 0.00000 0.91690 Biso 1.000 C C13 1.0000 0.15828 0.00000 0.46960 Biso 1.000 C C14 1.0000 0.80846 0.50000 0.97779 Biso 1.000 C C15 1.0000 0.02680 0.50000 0.96518 Biso 1.000 C C16 1.0000 0.02364 0.00000 0.28828 Biso 1.000 C C17 1.0000 0.73371 0.00000 0.46739 Biso 1.000 C C18 1.0000 0.49101 0.50000 0.04829 Biso 1.000 C C19 1.0000 0.76388 0.00000 0.25055 Biso 1.000 C C20 1.0000 0.60460 0.50000 0.65383 Biso 1.000 C C21 1.0000 0.43967 0.00000 0.70954 Biso 1.000 C C22 1.0000 0.35971 0.50000 0.68187 Biso 1.000 C C23 1.0000 0.33359 0.00000 0.22854 Biso 1.000 C C24 1.0000 0.67805 0.50000 0.89784 Biso 1.000 C C25 1.0000 0.52360 0.00000 0.59325 Biso 1.000 C C26 1.0000 0.46910 0.00000 0.34714 Biso 1.000 C C27 1.0000 0.65518 0.00000 0.00747 Biso 1.000 C C28 1.0000 0.35678 0.50000 0.91690 Biso 1.000 C C29 1.0000 0.65828 0.50000 0.46960 Biso 1.000 C C30 1.0000 0.30846 0.00000 0.97779 Biso 1.000 C C31 1.0000 0.52680 0.00000 0.96518 Biso 1.000 C C32 1.0000 0.52364 0.50000 0.28828 Biso 1.000 C data_G171 _cell_length_a 4.69298 _cell_length_b 4.72695 _cell_length_c 4.76483 _cell_angle_alpha 74.5228 _cell_angle_beta 72.149 _cell_angle_gamma 82.3348 _chemical_formula_sum G171 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.60422 0.93338 0.96800 Biso 1.000 C C2 1.0000 0.16789 0.78504 0.55715 Biso 1.000 C C3 1.0000 0.01663 0.30078 0.58882 Biso 1.000 C C4 1.0000 0.00172 0.51989 0.79048 Biso 1.000 C C5 1.0000 0.49711 0.45387 0.27103 Biso 1.000 C C6 1.0000 0.23445 0.04758 0.65858 Biso 1.000 C C7 1.0000 0.16504 0.47578 0.26278 Biso 1.000 C C8 1.0000 0.67035 0.59832 0.94273 Biso 1.000 C C9 1.0000 0.56102 0.14520 0.45021 Biso 1.000 C C10 1.0000 0.69810 0.89899 0.28237 Biso 1.000 C C11 1.0000 0.70416 0.19316 0.68659 Biso 1.000 C C12 1.0000 0.05218 0.81275 0.26127 Biso 1.000 C C13 1.0000 0.48831 0.65266 0.47032 Biso 1.000 C C14 1.0000 0.51806 0.46717 0.77070 Biso 1.000 C C15 1.0000 0.25431 0.02118 0.99438 Biso 1.000 C C16 1.0000 0.20661 0.36483 0.98150 Biso 1.000 C data_G172 _cell_length_a 3.35425 _cell_length_b 5.51244 _cell_length_c 5.53111 _cell_angle_alpha 87.612 _cell_angle_beta 79.0493 _cell_angle_gamma 78.5558 _chemical_formula_sum G172 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.88463 0.85624 0.76184 Biso 1.000 C C2 1.0000 0.51243 0.53133 0.51920 Biso 1.000 C C3 1.0000 0.06921 0.69779 0.14042 Biso 1.000 C C4 1.0000 0.04029 0.42958 0.09389 Biso 1.000 C C5 1.0000 0.81443 0.41781 0.87349 Biso 1.000 C C6 1.0000 0.23596 0.33935 0.69092 Biso 1.000 C C7 1.0000 0.63388 0.64609 0.74852 Biso 1.000 C C8 1.0000 0.22042 0.17536 0.49187 Biso 1.000 C C9 1.0000 0.52260 0.99008 0.95121 Biso 1.000 C C10 1.0000 0.30614 0.74732 0.34834 Biso 1.000 C C11 1.0000 0.87431 0.32164 0.34128 Biso 1.000 C C12 1.0000 0.24792 0.80270 0.89625 Biso 1.000 C C13 1.0000 0.64520 0.88265 0.19687 Biso 1.000 C C14 1.0000 0.00306 0.95689 0.51603 Biso 1.000 C C15 1.0000 0.45063 0.27090 0.91596 Biso 1.000 C C16 1.0000 0.66919 0.08570 0.36647 Biso 1.000 C data_G173 _cell_length_a 3.50492 _cell_length_b 4.4912 _cell_length_c 6.51167 _cell_angle_alpha 85.6598 _cell_angle_beta 80.4366 _cell_angle_gamma 66.3721 _chemical_formula_sum G173 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.16479 0.04665 0.28017 Biso 1.000 C C2 1.0000 0.43187 0.45187 0.40404 Biso 1.000 C C3 1.0000 0.83521 0.95335 0.71983 Biso 1.000 C C4 1.0000 0.96566 0.24202 0.64648 Biso 1.000 C C5 1.0000 0.08559 0.33900 0.83618 Biso 1.000 C C6 1.0000 0.80711 0.35166 0.21613 Biso 1.000 C C7 1.0000 0.31698 0.14866 0.46227 Biso 1.000 C C8 1.0000 0.51975 0.11302 0.91376 Biso 1.000 C C9 1.0000 0.68302 0.85134 0.53773 Biso 1.000 C C10 1.0000 0.69008 0.34347 0.99940 Biso 1.000 C C11 1.0000 0.19289 0.64834 0.78387 Biso 1.000 C C12 1.0000 0.48025 0.88698 0.08624 Biso 1.000 C C13 1.0000 0.91441 0.66100 0.16382 Biso 1.000 C C14 1.0000 0.56813 0.54813 0.59596 Biso 1.000 C C15 1.0000 0.03434 0.75798 0.35352 Biso 1.000 C C16 1.0000 0.30992 0.65653 0.00060 Biso 1.000 C data_G174 _cell_length_a 5.98474 _cell_length_b 7.50079 _cell_length_c 4.35324 _cell_angle_alpha 90 _cell_angle_beta 104.489 _cell_angle_gamma 90 _chemical_formula_sum G174 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.01851 0.94478 0.50230 Biso 1.000 C C2 1.0000 0.52374 0.62853 0.64521 Biso 1.000 C C3 1.0000 0.25382 0.59240 0.99949 Biso 1.000 C C4 1.0000 0.74474 0.73078 0.67182 Biso 1.000 C C5 1.0000 0.25382 0.40760 0.49949 Biso 1.000 C C6 1.0000 0.51851 0.55522 0.00230 Biso 1.000 C C7 1.0000 0.88090 0.41883 0.04012 Biso 1.000 C C8 1.0000 0.74474 0.26922 0.17182 Biso 1.000 C C9 1.0000 0.88090 0.58116 0.54012 Biso 1.000 C C10 1.0000 0.15320 0.41876 0.13484 Biso 1.000 C C11 1.0000 0.78142 0.40644 0.67465 Biso 1.000 C C12 1.0000 0.15320 0.58124 0.63484 Biso 1.000 C C13 1.0000 0.80758 0.22786 0.52751 Biso 1.000 C C14 1.0000 0.78142 0.59356 0.17465 Biso 1.000 C C15 1.0000 0.02374 0.87147 0.14521 Biso 1.000 C C16 1.0000 0.80758 0.77214 0.02751 Biso 1.000 C C17 1.0000 0.51851 0.44478 0.50230 Biso 1.000 C C18 1.0000 0.02374 0.12853 0.64521 Biso 1.000 C C19 1.0000 0.75382 0.09240 0.99949 Biso 1.000 C C20 1.0000 0.24474 0.23078 0.67182 Biso 1.000 C C21 1.0000 0.75382 0.90760 0.49949 Biso 1.000 C C22 1.0000 0.01851 0.05522 0.00230 Biso 1.000 C C23 1.0000 0.38090 0.91883 0.04012 Biso 1.000 C C24 1.0000 0.24474 0.76922 0.17182 Biso 1.000 C C25 1.0000 0.38090 0.08117 0.54012 Biso 1.000 C C26 1.0000 0.65320 0.91876 0.13484 Biso 1.000 C C27 1.0000 0.28142 0.90644 0.67465 Biso 1.000 C C28 1.0000 0.65320 0.08124 0.63484 Biso 1.000 C C29 1.0000 0.30758 0.72786 0.52751 Biso 1.000 C C30 1.0000 0.28142 0.09356 0.17465 Biso 1.000 C C31 1.0000 0.52374 0.37147 0.14521 Biso 1.000 C C32 1.0000 0.30758 0.27214 0.02751 Biso 1.000 C data_G175 _cell_length_a 5.94616 _cell_length_b 7.73046 _cell_length_c 8.66134 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G175 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.87020 -0.00000 0.41172 Biso 1.000 C C2 1.0000 0.23029 0.84933 0.15995 Biso 1.000 C C3 1.0000 0.76971 0.84933 0.15995 Biso 1.000 C C4 1.0000 0.62980 0.50000 0.41172 Biso 1.000 C C5 1.0000 0.00000 0.90064 0.09558 Biso 1.000 C C6 1.0000 0.50000 0.59936 0.09558 Biso 1.000 C C7 1.0000 0.00000 0.59936 0.40442 Biso 1.000 C C8 1.0000 0.50000 0.90064 0.40442 Biso 1.000 C C9 1.0000 0.26971 0.65067 0.15995 Biso 1.000 C C10 1.0000 0.73029 0.65067 0.15995 Biso 1.000 C C11 1.0000 0.76971 0.65067 0.34005 Biso 1.000 C C12 1.0000 0.12980 0.50000 0.08828 Biso 1.000 C C13 1.0000 0.73029 0.84933 0.34005 Biso 1.000 C C14 1.0000 0.23029 0.65067 0.34005 Biso 1.000 C C15 1.0000 0.87020 0.50000 0.08828 Biso 1.000 C C16 1.0000 0.76971 0.34933 0.34005 Biso 1.000 C C17 1.0000 0.87020 0.50000 0.91172 Biso 1.000 C C18 1.0000 0.23029 0.34933 0.65995 Biso 1.000 C C19 1.0000 0.76971 0.34933 0.65995 Biso 1.000 C C20 1.0000 0.62980 0.00000 0.91172 Biso 1.000 C C21 1.0000 0.00000 0.40064 0.59558 Biso 1.000 C C22 1.0000 0.50000 0.09936 0.59558 Biso 1.000 C C23 1.0000 0.00000 0.09936 0.90442 Biso 1.000 C C24 1.0000 0.50000 0.40064 0.90442 Biso 1.000 C C25 1.0000 0.26971 0.15067 0.65995 Biso 1.000 C C26 1.0000 0.73029 0.15067 0.65995 Biso 1.000 C C27 1.0000 0.76971 0.15067 0.84005 Biso 1.000 C C28 1.0000 0.12980 0.00000 0.58828 Biso 1.000 C C29 1.0000 0.73029 0.34933 0.84005 Biso 1.000 C C30 1.0000 0.23029 0.15067 0.84005 Biso 1.000 C C31 1.0000 0.87020 0.00000 0.58828 Biso 1.000 C C32 1.0000 0.76971 0.84933 0.84005 Biso 1.000 C C33 1.0000 0.37020 -0.00000 0.91172 Biso 1.000 C C34 1.0000 0.73029 0.84933 0.65995 Biso 1.000 C C35 1.0000 0.26971 0.84933 0.65995 Biso 1.000 C C36 1.0000 0.12980 0.50000 0.91172 Biso 1.000 C C37 1.0000 0.50000 0.90064 0.59558 Biso 1.000 C C38 1.0000 0.00000 0.59936 0.59558 Biso 1.000 C C39 1.0000 0.50000 0.59936 0.90442 Biso 1.000 C C40 1.0000 0.00000 0.90064 0.90442 Biso 1.000 C C41 1.0000 0.76971 0.65067 0.65995 Biso 1.000 C C42 1.0000 0.23029 0.65067 0.65995 Biso 1.000 C C43 1.0000 0.26971 0.65067 0.84005 Biso 1.000 C C44 1.0000 0.62980 0.50000 0.58828 Biso 1.000 C C45 1.0000 0.23029 0.84933 0.84005 Biso 1.000 C C46 1.0000 0.73029 0.65067 0.84005 Biso 1.000 C C47 1.0000 0.37020 0.50000 0.58828 Biso 1.000 C C48 1.0000 0.26971 0.34933 0.84005 Biso 1.000 C C49 1.0000 0.37020 0.50000 0.41172 Biso 1.000 C C50 1.0000 0.73029 0.34933 0.15995 Biso 1.000 C C51 1.0000 0.26971 0.34933 0.15995 Biso 1.000 C C52 1.0000 0.12980 0.00000 0.41172 Biso 1.000 C C53 1.0000 0.50000 0.40064 0.09558 Biso 1.000 C C54 1.0000 0.00000 0.09936 0.09558 Biso 1.000 C C55 1.0000 0.50000 0.09936 0.40442 Biso 1.000 C C56 1.0000 0.00000 0.40064 0.40442 Biso 1.000 C C57 1.0000 0.76971 0.15067 0.15995 Biso 1.000 C C58 1.0000 0.23029 0.15067 0.15995 Biso 1.000 C C59 1.0000 0.26971 0.15067 0.34005 Biso 1.000 C C60 1.0000 0.62980 0.00000 0.08828 Biso 1.000 C C61 1.0000 0.23029 0.34933 0.34005 Biso 1.000 C C62 1.0000 0.73029 0.15067 0.34005 Biso 1.000 C C63 1.0000 0.37020 -0.00000 0.08828 Biso 1.000 C C64 1.0000 0.26971 0.84933 0.34005 Biso 1.000 C data_G176 _cell_length_a 4.95395 _cell_length_b 9.06775 _cell_length_c 4.93347 _cell_angle_alpha 90 _cell_angle_beta 120.656 _cell_angle_gamma 90 _chemical_formula_sum G176 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.47861 0.19293 0.97285 Biso 1.000 C C2 1.0000 0.99409 0.54270 0.11083 Biso 1.000 C C3 1.0000 0.66959 0.18534 0.80706 Biso 1.000 C C4 1.0000 0.30606 0.52197 0.82452 Biso 1.000 C C5 1.0000 0.83449 0.44770 0.81793 Biso 1.000 C C6 1.0000 0.61402 0.29351 0.25523 Biso 1.000 C C7 1.0000 0.83449 0.55230 0.31793 Biso 1.000 C C8 1.0000 0.99409 0.45730 0.61083 Biso 1.000 C C9 1.0000 0.11402 0.20649 0.75523 Biso 1.000 C C10 1.0000 0.30606 0.47803 0.32452 Biso 1.000 C C11 1.0000 0.44828 0.21486 0.43819 Biso 1.000 C C12 1.0000 0.50351 0.46794 0.16586 Biso 1.000 C C13 1.0000 0.97861 0.30707 0.47285 Biso 1.000 C C14 1.0000 0.94828 0.28514 0.93819 Biso 1.000 C C15 1.0000 0.50351 0.53206 0.66586 Biso 1.000 C C16 1.0000 0.16959 0.31466 0.30706 Biso 1.000 C C17 1.0000 0.97861 0.69293 0.97285 Biso 1.000 C C18 1.0000 0.49409 0.04270 0.11083 Biso 1.000 C C19 1.0000 0.16959 0.68534 0.80706 Biso 1.000 C C20 1.0000 0.80606 0.02197 0.82452 Biso 1.000 C C21 1.0000 0.33449 0.94770 0.81793 Biso 1.000 C C22 1.0000 0.11402 0.79351 0.25523 Biso 1.000 C C23 1.0000 0.33449 0.05230 0.31793 Biso 1.000 C C24 1.0000 0.49409 0.95730 0.61083 Biso 1.000 C C25 1.0000 0.61402 0.70649 0.75523 Biso 1.000 C C26 1.0000 0.80606 0.97803 0.32452 Biso 1.000 C C27 1.0000 0.94828 0.71486 0.43819 Biso 1.000 C C28 1.0000 0.00352 0.96794 0.16586 Biso 1.000 C C29 1.0000 0.47861 0.80707 0.47285 Biso 1.000 C C30 1.0000 0.44828 0.78514 0.93819 Biso 1.000 C C31 1.0000 0.00351 0.03206 0.66586 Biso 1.000 C C32 1.0000 0.66959 0.81466 0.30706 Biso 1.000 C data_G177 _cell_length_a 4.67004 _cell_length_b 4.74987 _cell_length_c 4.7158 _cell_angle_alpha 75.341 _cell_angle_beta 83.2977 _cell_angle_gamma 73.3075 _chemical_formula_sum G177 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.65340 0.43542 0.51074 Biso 1.000 C C2 1.0000 0.09250 0.74621 0.88795 Biso 1.000 C C3 1.0000 0.11779 0.23325 0.17225 Biso 1.000 C C4 1.0000 0.59321 0.77732 0.82702 Biso 1.000 C C5 1.0000 0.76793 0.92366 0.96340 Biso 1.000 C C6 1.0000 0.27692 0.96357 0.72597 Biso 1.000 C C7 1.0000 0.08515 0.56876 0.65944 Biso 1.000 C C8 1.0000 0.31911 0.61369 0.41821 Biso 1.000 C C9 1.0000 0.58855 0.45418 0.01168 Biso 1.000 C C10 1.0000 0.32732 0.96560 0.37603 Biso 1.000 C C11 1.0000 0.77583 0.69706 0.54456 Biso 1.000 C C12 1.0000 0.26203 0.51035 0.13809 Biso 1.000 C C13 1.0000 0.74630 0.24969 0.81215 Biso 1.000 C C14 1.0000 0.67688 0.96212 0.29276 Biso 1.000 C C15 1.0000 0.77660 0.27647 0.27129 Biso 1.000 C C16 1.0000 0.08992 0.24682 0.82972 Biso 1.000 C data_G178 _cell_length_a 4.34491 _cell_length_b 2.50833 _cell_length_c 8.66667 _cell_angle_alpha 90 _cell_angle_beta 104.144 _cell_angle_gamma 90 _chemical_formula_sum G178 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.89305 0.78296 0.77746 Biso 1.000 C C2 1.0000 0.69053 0.26412 0.71931 Biso 1.000 C C3 1.0000 0.59805 0.25650 0.53193 Biso 1.000 C C4 1.0000 0.61765 0.70485 0.22315 Biso 1.000 C C5 1.0000 0.04713 0.92186 0.95907 Biso 1.000 C C6 1.0000 0.81222 0.22213 0.28912 Biso 1.000 C C7 1.0000 0.30947 0.76412 0.28069 Biso 1.000 C C8 1.0000 0.18778 0.72213 0.71088 Biso 1.000 C C9 1.0000 0.41225 0.07805 0.95897 Biso 1.000 C C10 1.0000 0.90131 0.23038 0.47053 Biso 1.000 C C11 1.0000 0.58775 0.57805 0.04103 Biso 1.000 C C12 1.0000 0.10695 0.28296 0.22254 Biso 1.000 C C13 1.0000 0.38235 0.20485 0.77685 Biso 1.000 C C14 1.0000 0.40195 0.75650 0.46807 Biso 1.000 C C15 1.0000 0.09869 0.73038 0.52947 Biso 1.000 C C16 1.0000 0.95287 0.42186 0.04093 Biso 1.000 C data_G179 _cell_length_a 4.3033 _cell_length_b 7.61607 _cell_length_c 6.00229 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G179 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.81657 0.50000 0.34290 Biso 1.000 C C2 1.0000 0.31432 0.34067 0.19983 Biso 1.000 C C3 1.0000 0.81873 0.15930 0.24259 Biso 1.000 C C4 1.0000 0.32053 0.90139 0.45755 Biso 1.000 C C5 1.0000 0.31217 0.00000 0.08794 Biso 1.000 C C6 1.0000 0.68568 0.65933 0.19983 Biso 1.000 C C7 1.0000 0.68783 0.00000 0.08794 Biso 1.000 C C8 1.0000 0.81873 0.84070 0.24259 Biso 1.000 C C9 1.0000 0.31432 0.65933 0.19983 Biso 1.000 C C10 1.0000 0.18127 0.15930 0.24259 Biso 1.000 C C11 1.0000 0.18127 0.84070 0.24259 Biso 1.000 C C12 1.0000 0.67947 0.59861 0.95755 Biso 1.000 C C13 1.0000 0.68568 0.34067 0.19983 Biso 1.000 C C14 1.0000 0.32053 0.59861 0.95755 Biso 1.000 C C15 1.0000 0.18343 0.50000 0.34290 Biso 1.000 C C16 1.0000 0.67947 0.90139 0.45755 Biso 1.000 C C17 1.0000 0.81657 -0.00000 0.84290 Biso 1.000 C C18 1.0000 0.31432 0.84067 0.69983 Biso 1.000 C C19 1.0000 0.81873 0.65930 0.74259 Biso 1.000 C C20 1.0000 0.32053 0.40139 0.95755 Biso 1.000 C C21 1.0000 0.31217 0.50000 0.58794 Biso 1.000 C C22 1.0000 0.68568 0.15933 0.69983 Biso 1.000 C C23 1.0000 0.68783 0.50000 0.58794 Biso 1.000 C C24 1.0000 0.81873 0.34070 0.74259 Biso 1.000 C C25 1.0000 0.31432 0.15933 0.69983 Biso 1.000 C C26 1.0000 0.18127 0.65930 0.74259 Biso 1.000 C C27 1.0000 0.18127 0.34070 0.74259 Biso 1.000 C C28 1.0000 0.67947 0.09861 0.45755 Biso 1.000 C C29 1.0000 0.68568 0.84067 0.69983 Biso 1.000 C C30 1.0000 0.32053 0.09861 0.45755 Biso 1.000 C C31 1.0000 0.18343 -0.00000 0.84290 Biso 1.000 C C32 1.0000 0.67947 0.40139 0.95755 Biso 1.000 C data_G180 _cell_length_a 4.67222 _cell_length_b 4.68191 _cell_length_c 4.75347 _cell_angle_alpha 75.9425 _cell_angle_beta 75.8159 _cell_angle_gamma 78.7836 _chemical_formula_sum G180 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.40601 0.44858 0.92406 Biso 1.000 C C2 1.0000 0.57196 0.53678 0.61048 Biso 1.000 C C3 1.0000 0.38594 0.11798 0.42578 Biso 1.000 C C4 1.0000 0.90523 0.39917 0.62108 Biso 1.000 C C5 1.0000 0.61406 0.88202 0.57422 Biso 1.000 C C6 1.0000 0.09477 0.60083 0.37892 Biso 1.000 C C7 1.0000 0.05863 0.07670 0.59170 Biso 1.000 C C8 1.0000 0.97073 0.90900 0.90499 Biso 1.000 C C9 1.0000 0.59399 0.55142 0.07594 Biso 1.000 C C10 1.0000 0.02927 0.09100 0.09501 Biso 1.000 C C11 1.0000 0.90383 0.40448 0.97345 Biso 1.000 C C12 1.0000 0.94137 0.92330 0.40830 Biso 1.000 C C13 1.0000 0.09617 0.59552 0.02655 Biso 1.000 C C14 1.0000 0.37959 0.11531 0.07502 Biso 1.000 C C15 1.0000 0.62041 0.88469 0.92498 Biso 1.000 C C16 1.0000 0.42804 0.46322 0.38952 Biso 1.000 C data_G181 _cell_length_a 5.56172 _cell_length_b 3.22831 _cell_length_c 4.98026 _cell_angle_alpha 90 _cell_angle_beta 102.891 _cell_angle_gamma 90 _chemical_formula_sum G181 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.71138 0.22008 0.72183 Biso 1.000 C C2 1.0000 0.70896 0.17261 0.40575 Biso 1.000 C C3 1.0000 0.91934 0.54285 0.85804 Biso 1.000 C C4 1.0000 0.50000 0.52738 0.75000 Biso 1.000 C C5 1.0000 0.29104 0.82739 0.59425 Biso 1.000 C C6 1.0000 0.71138 0.77992 0.22183 Biso 1.000 C C7 1.0000 0.08066 0.54285 0.64196 Biso 1.000 C C8 1.0000 0.08066 0.45715 0.14196 Biso 1.000 C C9 1.0000 0.70896 0.82739 0.90575 Biso 1.000 C C10 1.0000 0.91934 0.45715 0.35804 Biso 1.000 C C11 1.0000 0.50000 0.47262 0.25000 Biso 1.000 C C12 1.0000 0.29104 0.17261 0.09425 Biso 1.000 C C13 1.0000 0.28862 0.22008 0.77817 Biso 1.000 C C14 1.0000 0.28862 0.77992 0.27817 Biso 1.000 C data_G182 _cell_length_a 3.74299 _cell_length_b 8.89214 _cell_length_c 4.66795 _cell_angle_alpha 90 _cell_angle_beta 112.212 _cell_angle_gamma 90 _chemical_formula_sum G182 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.20172 0.84098 0.20092 Biso 1.000 C C2 1.0000 0.84166 0.07414 0.13619 Biso 1.000 C C3 1.0000 0.87582 0.73589 0.23494 Biso 1.000 C C4 1.0000 0.40309 0.90774 0.53330 Biso 1.000 C C5 1.0000 0.94934 0.75394 0.57867 Biso 1.000 C C6 1.0000 0.70172 0.65902 0.70092 Biso 1.000 C C7 1.0000 0.40309 0.09226 0.03330 Biso 1.000 C C8 1.0000 0.44934 0.74606 0.07867 Biso 1.000 C C9 1.0000 0.06015 0.97432 0.99177 Biso 1.000 C C10 1.0000 0.06015 0.02568 0.49177 Biso 1.000 C C11 1.0000 0.84166 0.92586 0.63619 Biso 1.000 C C12 1.0000 0.37582 0.76411 0.73494 Biso 1.000 C C13 1.0000 0.70172 0.34098 0.20092 Biso 1.000 C C14 1.0000 0.34166 0.57414 0.13619 Biso 1.000 C C15 1.0000 0.37582 0.23589 0.23494 Biso 1.000 C C16 1.0000 0.90309 0.40774 0.53330 Biso 1.000 C C17 1.0000 0.44934 0.25394 0.57867 Biso 1.000 C C18 1.0000 0.20172 0.15902 0.70091 Biso 1.000 C C19 1.0000 0.90309 0.59226 0.03330 Biso 1.000 C C20 1.0000 0.94934 0.24606 0.07867 Biso 1.000 C C21 1.0000 0.56015 0.47432 0.99177 Biso 1.000 C C22 1.0000 0.56015 0.52568 0.49177 Biso 1.000 C C23 1.0000 0.34166 0.42586 0.63619 Biso 1.000 C C24 1.0000 0.87582 0.26411 0.73494 Biso 1.000 C data_G183 _cell_length_a 10.3676 _cell_length_b 4.14871 _cell_length_c 3.37985 _cell_angle_alpha 90 _cell_angle_beta 94.9166 _cell_angle_gamma 90 _chemical_formula_sum G183 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.66126 0.43217 0.47506 Biso 1.000 C C2 1.0000 0.22259 0.44286 0.18985 Biso 1.000 C C3 1.0000 0.50000 0.32278 1.00000 Biso 1.000 C C4 1.0000 0.57511 0.58770 0.76463 Biso 1.000 C C5 1.0000 0.31206 0.61396 0.91265 Biso 1.000 C C6 1.0000 0.50000 0.87621 0.50000 Biso 1.000 C C7 1.0000 0.27741 0.94286 0.81015 Biso 1.000 C C8 1.0000 0.33874 0.43217 0.52494 Biso 1.000 C C9 1.0000 0.68794 0.61396 0.08735 Biso 1.000 C C10 1.0000 0.40138 0.12159 0.70537 Biso 1.000 C C11 1.0000 0.42489 0.58770 0.23537 Biso 1.000 C C12 1.0000 0.59862 0.12159 0.29463 Biso 1.000 C C13 1.0000 0.16126 0.93217 0.47506 Biso 1.000 C C14 1.0000 0.72259 0.94286 0.18985 Biso 1.000 C C15 1.0000 0.00000 0.82278 0.00000 Biso 1.000 C C16 1.0000 0.07511 0.08770 0.76463 Biso 1.000 C C17 1.0000 0.81206 0.11396 0.91265 Biso 1.000 C C18 1.0000 0.00000 0.37621 0.50000 Biso 1.000 C C19 1.0000 0.77741 0.44286 0.81015 Biso 1.000 C C20 1.0000 0.83874 0.93217 0.52494 Biso 1.000 C C21 1.0000 0.18794 0.11396 0.08735 Biso 1.000 C C22 1.0000 0.90138 0.62159 0.70537 Biso 1.000 C C23 1.0000 0.92489 0.08770 0.23537 Biso 1.000 C C24 1.0000 0.09862 0.62159 0.29463 Biso 1.000 C data_G184 _cell_length_a 5.61355 _cell_length_b 5.77805 _cell_length_c 4.89917 _cell_angle_alpha 90 _cell_angle_beta 113.162 _cell_angle_gamma 90 _chemical_formula_sum G184 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.11750 0.07367 0.56394 Biso 1.000 C C2 1.0000 0.28461 0.99603 0.38680 Biso 1.000 C C3 1.0000 0.01739 0.67517 0.10013 Biso 1.000 C C4 1.0000 0.28461 0.00397 0.88680 Biso 1.000 C C5 1.0000 0.21539 0.49603 0.11320 Biso 1.000 C C6 1.0000 0.88250 0.92633 0.43606 Biso 1.000 C C7 1.0000 0.51739 0.82483 0.60013 Biso 1.000 C C8 1.0000 0.48261 0.82483 0.89987 Biso 1.000 C C9 1.0000 0.98261 0.67517 0.39987 Biso 1.000 C C10 1.0000 0.11750 0.92633 0.06394 Biso 1.000 C C11 1.0000 0.21539 0.50397 0.61320 Biso 1.000 C C12 1.0000 0.38250 0.57367 0.93606 Biso 1.000 C C13 1.0000 0.61750 0.57367 0.56394 Biso 1.000 C C14 1.0000 0.78461 0.49603 0.38680 Biso 1.000 C C15 1.0000 0.51739 0.17517 0.10013 Biso 1.000 C C16 1.0000 0.78461 0.50397 0.88680 Biso 1.000 C C17 1.0000 0.71539 0.99603 0.11320 Biso 1.000 C C18 1.0000 0.38250 0.42633 0.43606 Biso 1.000 C C19 1.0000 0.01739 0.32483 0.60013 Biso 1.000 C C20 1.0000 0.98261 0.32483 0.89987 Biso 1.000 C C21 1.0000 0.48261 0.17517 0.39987 Biso 1.000 C C22 1.0000 0.61750 0.42633 0.06394 Biso 1.000 C C23 1.0000 0.71539 0.00397 0.61320 Biso 1.000 C C24 1.0000 0.88250 0.07367 0.93606 Biso 1.000 C data_G185 _cell_length_a 3.41452 _cell_length_b 4.43144 _cell_length_c 5.10983 _cell_angle_alpha 100.814 _cell_angle_beta 90.6157 _cell_angle_gamma 105.63 _chemical_formula_sum G185 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.95225 0.21020 0.59952 Biso 1.000 C C2 1.0000 0.50266 0.13348 0.24423 Biso 1.000 C C3 1.0000 0.21095 0.99435 0.44940 Biso 1.000 C C4 1.0000 0.64754 0.82959 0.14920 Biso 1.000 C C5 1.0000 0.94935 0.67910 0.29708 Biso 1.000 C C6 1.0000 0.53079 0.96764 0.66842 Biso 1.000 C C7 1.0000 0.32932 0.10957 0.92804 Biso 1.000 C C8 1.0000 0.25448 0.39022 0.83109 Biso 1.000 C C9 1.0000 0.61609 0.63021 0.69364 Biso 1.000 C C10 1.0000 0.77234 0.42544 0.44744 Biso 1.000 C C11 1.0000 0.94881 0.82058 0.92789 Biso 1.000 C C12 1.0000 0.19394 0.63207 0.05138 Biso 1.000 C data_G186 _cell_length_a 4.78319 _cell_length_b 8.57121 _cell_length_c 3.83356 _cell_angle_alpha 90 _cell_angle_beta 112.478 _cell_angle_gamma 90 _chemical_formula_sum G186 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.76951 0.18284 0.25729 Biso 1.000 C C2 1.0000 0.00000 0.29881 0.50000 Biso 1.000 C C3 1.0000 0.23049 0.18284 0.74271 Biso 1.000 C C4 1.0000 0.50000 0.27619 1.00000 Biso 1.000 C C5 1.0000 0.34964 0.06994 0.53587 Biso 1.000 C C6 1.0000 0.41993 0.38868 0.28133 Biso 1.000 C C7 1.0000 0.01084 0.05212 0.19374 Biso 1.000 C C8 1.0000 0.98916 0.05212 0.80626 Biso 1.000 C C9 1.0000 0.58007 0.38868 0.71867 Biso 1.000 C C10 1.0000 0.65036 0.06994 0.46413 Biso 1.000 C C11 1.0000 0.09981 0.41097 0.22955 Biso 1.000 C C12 1.0000 0.90019 0.41097 0.77045 Biso 1.000 C C13 1.0000 0.26951 0.68284 0.25729 Biso 1.000 C C14 1.0000 0.50000 0.79881 0.50000 Biso 1.000 C C15 1.0000 0.73049 0.68284 0.74271 Biso 1.000 C C16 1.0000 0.00000 0.77619 0.00000 Biso 1.000 C C17 1.0000 0.84964 0.56994 0.53587 Biso 1.000 C C18 1.0000 0.91993 0.88868 0.28133 Biso 1.000 C C19 1.0000 0.51083 0.55212 0.19374 Biso 1.000 C C20 1.0000 0.48917 0.55212 0.80626 Biso 1.000 C C21 1.0000 0.08007 0.88868 0.71867 Biso 1.000 C C22 1.0000 0.15036 0.56994 0.46413 Biso 1.000 C C23 1.0000 0.59981 0.91097 0.22955 Biso 1.000 C C24 1.0000 0.40019 0.91097 0.77045 Biso 1.000 C data_G187 _cell_length_a 5.98688 _cell_length_b 3.69841 _cell_length_c 6.85468 _cell_angle_alpha 90 _cell_angle_beta 90.7183 _cell_angle_gamma 90 _chemical_formula_sum G187 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.61464 0.46163 0.95537 Biso 1.000 C C2 1.0000 0.78059 0.59416 0.62953 Biso 1.000 C C3 1.0000 0.78059 0.40584 0.12953 Biso 1.000 C C4 1.0000 0.88536 0.03837 0.04463 Biso 1.000 C C5 1.0000 0.61464 0.53837 0.45537 Biso 1.000 C C6 1.0000 0.88536 0.96163 0.54463 Biso 1.000 C C7 1.0000 0.71941 0.90584 0.37047 Biso 1.000 C C8 1.0000 0.87724 0.75722 0.20721 Biso 1.000 C C9 1.0000 0.62276 0.74278 0.79279 Biso 1.000 C C10 1.0000 0.12276 0.75722 0.29279 Biso 1.000 C C11 1.0000 0.87724 0.24278 0.70721 Biso 1.000 C C12 1.0000 0.21941 0.59416 0.87047 Biso 1.000 C C13 1.0000 0.11464 0.96163 0.95537 Biso 1.000 C C14 1.0000 0.28059 0.09416 0.62953 Biso 1.000 C C15 1.0000 0.28059 0.90584 0.12953 Biso 1.000 C C16 1.0000 0.38536 0.53837 0.04463 Biso 1.000 C C17 1.0000 0.11464 0.03837 0.45537 Biso 1.000 C C18 1.0000 0.38536 0.46163 0.54463 Biso 1.000 C C19 1.0000 0.21941 0.40584 0.37047 Biso 1.000 C C20 1.0000 0.37724 0.25722 0.20721 Biso 1.000 C C21 1.0000 0.12276 0.24278 0.79279 Biso 1.000 C C22 1.0000 0.62276 0.25722 0.29279 Biso 1.000 C C23 1.0000 0.37724 0.74278 0.70721 Biso 1.000 C C24 1.0000 0.71941 0.09416 0.87047 Biso 1.000 C data_G188 _cell_length_a 4.10005 _cell_length_b 4.09468 _cell_length_c 4.61138 _cell_angle_alpha 95.6489 _cell_angle_beta 103.093 _cell_angle_gamma 92.7933 _chemical_formula_sum G188 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.65583 0.63557 0.42165 Biso 1.000 C C2 1.0000 0.87953 0.64816 0.77372 Biso 1.000 C C3 1.0000 0.57692 0.02768 0.37992 Biso 1.000 C C4 1.0000 0.97815 0.02185 0.87321 Biso 1.000 C C5 1.0000 0.25652 0.58940 0.72269 Biso 1.000 C C6 1.0000 0.26515 0.55254 0.38493 Biso 1.000 C C7 1.0000 0.21054 0.94345 0.37571 Biso 1.000 C C8 1.0000 0.60427 0.44712 0.88142 Biso 1.000 C C9 1.0000 0.05102 0.21312 0.20559 Biso 1.000 C C10 1.0000 0.71088 0.33243 0.21716 Biso 1.000 C C11 1.0000 0.63534 0.13003 0.71931 Biso 1.000 C C12 1.0000 0.28050 0.95862 0.71812 Biso 1.000 C data_G189 _cell_length_a 3.30041 _cell_length_b 10.1298 _cell_length_c 4.13199 _cell_angle_alpha 90 _cell_angle_beta 112.604 _cell_angle_gamma 90 _chemical_formula_sum G189 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.29793 0.18544 0.58962 Biso 1.000 C C2 1.0000 0.70207 0.18544 0.91038 Biso 1.000 C C3 1.0000 1.00000 0.12346 0.75000 Biso 1.000 C C4 1.0000 0.45859 0.06899 0.05120 Biso 1.000 C C5 1.0000 0.45859 0.93101 0.55120 Biso 1.000 C C6 1.0000 0.54141 0.06899 0.44880 Biso 1.000 C C7 1.0000 0.54141 0.93101 0.94880 Biso 1.000 C C8 1.0000 0.79793 0.31456 0.08962 Biso 1.000 C C9 1.0000 0.00000 0.87654 0.25000 Biso 1.000 C C10 1.0000 0.20207 0.31456 0.41038 Biso 1.000 C C11 1.0000 0.79793 0.68544 0.58962 Biso 1.000 C C12 1.0000 0.20207 0.68544 0.91038 Biso 1.000 C C13 1.0000 0.50000 0.62346 0.75000 Biso 1.000 C C14 1.0000 0.95859 0.56899 0.05120 Biso 1.000 C C15 1.0000 0.95859 0.43101 0.55120 Biso 1.000 C C16 1.0000 0.04141 0.56899 0.44880 Biso 1.000 C C17 1.0000 0.04141 0.43101 0.94880 Biso 1.000 C C18 1.0000 0.29793 0.81456 0.08962 Biso 1.000 C C19 1.0000 0.50000 0.37654 0.25000 Biso 1.000 C C20 1.0000 0.70207 0.81456 0.41038 Biso 1.000 C data_G190 _cell_length_a 3.86035 _cell_length_b 6.45771 _cell_length_c 2.54214 _cell_angle_alpha 90 _cell_angle_beta 109.223 _cell_angle_gamma 90 _chemical_formula_sum G190 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.62708 0.28562 0.56354 Biso 1.000 C C2 1.0000 1.00000 0.56801 0.25000 Biso 1.000 C C3 1.0000 1.00000 0.43199 0.75000 Biso 1.000 C C4 1.0000 0.37292 0.28562 0.93646 Biso 1.000 C C5 1.0000 0.62708 0.71438 0.06354 Biso 1.000 C C6 1.0000 0.37292 0.71438 0.43646 Biso 1.000 C C7 1.0000 0.79299 0.93293 0.14654 Biso 1.000 C C8 1.0000 0.20701 0.06707 0.85346 Biso 1.000 C C9 1.0000 0.79299 0.06707 0.64654 Biso 1.000 C C10 1.0000 0.20701 0.93293 0.35346 Biso 1.000 C data_G191 _cell_length_a 3.97154 _cell_length_b 10.2971 _cell_length_c 3.3141 _cell_angle_alpha 90 _cell_angle_beta 114.266 _cell_angle_gamma 90 _chemical_formula_sum G191 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.19854 0.04062 0.67097 Biso 1.000 C C2 1.0000 0.20409 0.93219 0.03695 Biso 1.000 C C3 1.0000 0.80146 0.04062 0.32903 Biso 1.000 C C4 1.0000 0.32831 0.17994 0.79468 Biso 1.000 C C5 1.0000 0.19937 0.29542 0.04289 Biso 1.000 C C6 1.0000 0.67169 0.17994 0.20532 Biso 1.000 C C7 1.0000 0.79591 0.93219 0.96305 Biso 1.000 C C8 1.0000 0.50000 0.98459 0.50000 Biso 1.000 C C9 1.0000 0.80063 0.29542 0.95711 Biso 1.000 C C10 1.0000 0.50000 0.24218 0.50000 Biso 1.000 C C11 1.0000 0.69854 0.54062 0.67097 Biso 1.000 C C12 1.0000 0.70409 0.43219 0.03695 Biso 1.000 C C13 1.0000 0.30146 0.54062 0.32903 Biso 1.000 C C14 1.0000 0.82831 0.67994 0.79468 Biso 1.000 C C15 1.0000 0.69937 0.79542 0.04289 Biso 1.000 C C16 1.0000 0.17169 0.67994 0.20532 Biso 1.000 C C17 1.0000 0.29591 0.43219 0.96305 Biso 1.000 C C18 1.0000 1.00000 0.48459 0.50000 Biso 1.000 C C19 1.0000 0.30063 0.79542 0.95711 Biso 1.000 C C20 1.0000 1.00000 0.74218 0.50000 Biso 1.000 C data_G193 _cell_length_a 7.98675 _cell_length_b 6.0412 _cell_length_c 3.45193 _cell_angle_alpha 90 _cell_angle_beta 89.5694 _cell_angle_gamma 90 _chemical_formula_sum G193 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.29472 0.05841 0.04489 Biso 1.000 C C2 1.0000 0.70528 0.05841 0.95511 Biso 1.000 C C3 1.0000 0.50000 0.02788 0.50000 Biso 1.000 C C4 1.0000 0.90711 0.17915 0.40126 Biso 1.000 C C5 1.0000 0.73325 0.23985 0.61681 Biso 1.000 C C6 1.0000 0.35082 0.46463 0.18675 Biso 1.000 C C7 1.0000 0.38861 0.18002 0.72015 Biso 1.000 C C8 1.0000 0.56835 0.89206 0.83114 Biso 1.000 C C9 1.0000 0.50000 0.34335 0.00000 Biso 1.000 C C10 1.0000 0.61139 0.18002 0.27985 Biso 1.000 C C11 1.0000 0.09289 0.17915 0.59874 Biso 1.000 C C12 1.0000 0.43165 0.89206 0.16886 Biso 1.000 C C13 1.0000 0.14918 0.96463 0.81325 Biso 1.000 C C14 1.0000 0.26675 0.23985 0.38319 Biso 1.000 C C15 1.0000 0.79472 0.55841 0.04489 Biso 1.000 C C16 1.0000 0.20528 0.55841 0.95511 Biso 1.000 C C17 1.0000 0.00000 0.52788 0.50000 Biso 1.000 C C18 1.0000 0.40711 0.67915 0.40126 Biso 1.000 C C19 1.0000 0.23325 0.73985 0.61681 Biso 1.000 C C20 1.0000 0.85082 0.96463 0.18675 Biso 1.000 C C21 1.0000 0.88861 0.68002 0.72015 Biso 1.000 C C22 1.0000 0.06835 0.39206 0.83114 Biso 1.000 C C23 1.0000 0.00000 0.84335 0.00000 Biso 1.000 C C24 1.0000 0.11139 0.68002 0.27985 Biso 1.000 C C25 1.0000 0.59289 0.67915 0.59874 Biso 1.000 C C26 1.0000 0.93165 0.39206 0.16886 Biso 1.000 C C27 1.0000 0.64918 0.46463 0.81325 Biso 1.000 C C28 1.0000 0.76675 0.73985 0.38319 Biso 1.000 C data_G194 _cell_length_a 3.87332 _cell_length_b 11.9896 _cell_length_c 2.48807 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G194 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.12049 0.00000 0.00000 Biso 1.000 C C2 1.0000 0.80708 0.78358 0.32849 Biso 1.000 C C3 1.0000 0.19292 0.21642 0.82849 Biso 1.000 C C4 1.0000 0.62379 0.89904 0.47969 Biso 1.000 C C5 1.0000 0.87951 0.00000 0.50000 Biso 1.000 C C6 1.0000 0.19292 0.78358 0.17151 Biso 1.000 C C7 1.0000 0.80708 0.21642 0.67151 Biso 1.000 C C8 1.0000 0.37621 0.89904 0.02031 Biso 1.000 C C9 1.0000 0.62379 0.10096 0.52031 Biso 1.000 C C10 1.0000 0.37621 0.10096 0.97969 Biso 1.000 C C11 1.0000 0.62049 0.50000 0.00000 Biso 1.000 C C12 1.0000 0.30708 0.28358 0.32849 Biso 1.000 C C13 1.0000 0.69292 0.71642 0.82849 Biso 1.000 C C14 1.0000 0.12379 0.39904 0.47969 Biso 1.000 C C15 1.0000 0.37951 0.50000 0.50000 Biso 1.000 C C16 1.0000 0.69292 0.28358 0.17151 Biso 1.000 C C17 1.0000 0.30708 0.71642 0.67151 Biso 1.000 C C18 1.0000 0.87621 0.39904 0.02031 Biso 1.000 C C19 1.0000 0.12379 0.60096 0.52031 Biso 1.000 C C20 1.0000 0.87621 0.60096 0.97969 Biso 1.000 C data_G195 _cell_length_a 7.2306 _cell_length_b 3.47362 _cell_length_c 5.80884 _cell_angle_alpha 90 _cell_angle_beta 94.5289 _cell_angle_gamma 90 _chemical_formula_sum G195 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.88290 0.80167 0.68833 Biso 1.000 C C2 1.0000 0.68352 0.34423 0.86582 Biso 1.000 C C3 1.0000 0.65123 0.57661 0.09118 Biso 1.000 C C4 1.0000 0.81648 0.84423 0.13418 Biso 1.000 C C5 1.0000 0.54661 0.03902 0.79601 Biso 1.000 C C6 1.0000 0.95339 0.53902 0.20399 Biso 1.000 C C7 1.0000 0.50000 0.82227 0.00000 Biso 1.000 C C8 1.0000 0.50000 0.51559 0.50000 Biso 1.000 C C9 1.0000 0.84334 0.19414 0.32702 Biso 1.000 C C10 1.0000 0.65666 0.69414 0.67298 Biso 1.000 C C11 1.0000 0.61710 0.30167 0.31167 Biso 1.000 C C12 1.0000 0.84877 0.07662 0.90882 Biso 1.000 C C13 1.0000 0.38290 0.30167 0.68833 Biso 1.000 C C14 1.0000 0.18352 0.84423 0.86582 Biso 1.000 C C15 1.0000 0.15123 0.07662 0.09118 Biso 1.000 C C16 1.0000 0.31648 0.34423 0.13418 Biso 1.000 C C17 1.0000 0.04661 0.53902 0.79601 Biso 1.000 C C18 1.0000 0.45339 0.03902 0.20399 Biso 1.000 C C19 1.0000 0.00000 0.32227 0.00000 Biso 1.000 C C20 1.0000 0.00000 0.01559 0.50000 Biso 1.000 C C21 1.0000 0.34334 0.69414 0.32702 Biso 1.000 C C22 1.0000 0.15666 0.19414 0.67298 Biso 1.000 C C23 1.0000 0.11710 0.80167 0.31167 Biso 1.000 C C24 1.0000 0.34877 0.57661 0.90882 Biso 1.000 C data_G196 _cell_length_a 5.77046 _cell_length_b 5.84044 _cell_length_c 4.44194 _cell_angle_alpha 90 _cell_angle_beta 98.5291 _cell_angle_gamma 90 _chemical_formula_sum G196 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.99249 0.39961 0.68040 Biso 1.000 C C2 1.0000 0.43691 0.13823 0.82606 Biso 1.000 C C3 1.0000 0.41354 0.50193 0.84819 Biso 1.000 C C4 1.0000 0.80990 0.25705 0.79077 Biso 1.000 C C5 1.0000 0.77520 0.31875 0.12578 Biso 1.000 C C6 1.0000 0.06309 0.63823 0.17394 Biso 1.000 C C7 1.0000 0.54708 0.31878 0.66369 Biso 1.000 C C8 1.0000 0.00751 0.39961 0.31960 Biso 1.000 C C9 1.0000 0.45292 0.31878 0.33631 Biso 1.000 C C10 1.0000 0.22480 0.31875 0.87422 Biso 1.000 C C11 1.0000 0.08646 0.00193 0.15181 Biso 1.000 C C12 1.0000 0.19010 0.25705 0.20923 Biso 1.000 C C13 1.0000 0.49249 0.89961 0.68040 Biso 1.000 C C14 1.0000 0.93691 0.63823 0.82606 Biso 1.000 C C15 1.0000 0.91354 0.00193 0.84819 Biso 1.000 C C16 1.0000 0.30990 0.75705 0.79077 Biso 1.000 C C17 1.0000 0.27520 0.81875 0.12578 Biso 1.000 C C18 1.0000 0.56309 0.13823 0.17394 Biso 1.000 C C19 1.0000 0.04708 0.81878 0.66369 Biso 1.000 C C20 1.0000 0.50751 0.89961 0.31960 Biso 1.000 C C21 1.0000 0.95292 0.81878 0.33631 Biso 1.000 C C22 1.0000 0.72480 0.81875 0.87422 Biso 1.000 C C23 1.0000 0.58646 0.50193 0.15181 Biso 1.000 C C24 1.0000 0.69010 0.75705 0.20923 Biso 1.000 C data_G197 _cell_length_a 4.25942 _cell_length_b 2.49804 _cell_length_c 6.66898 _cell_angle_alpha 90 _cell_angle_beta 101.553 _cell_angle_gamma 90 _chemical_formula_sum G197 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.63619 0.36418 0.22284 Biso 1.000 C C2 1.0000 0.52952 0.84538 0.88715 Biso 1.000 C C3 1.0000 0.34252 0.52382 0.53465 Biso 1.000 C C4 1.0000 0.14417 0.07228 0.45140 Biso 1.000 C C5 1.0000 0.85583 0.07228 0.54860 Biso 1.000 C C6 1.0000 0.90201 0.75345 0.88907 Biso 1.000 C C7 1.0000 0.00181 0.23765 0.21952 Biso 1.000 C C8 1.0000 0.47048 0.84538 0.11285 Biso 1.000 C C9 1.0000 0.36381 0.36418 0.77716 Biso 1.000 C C10 1.0000 0.65748 0.52382 0.46535 Biso 1.000 C C11 1.0000 0.09799 0.75345 0.11093 Biso 1.000 C C12 1.0000 0.99819 0.23765 0.78048 Biso 1.000 C data_G198 _cell_length_a 2.51238 _cell_length_b 13.8227 _cell_length_c 3.55637 _cell_angle_alpha 90 _cell_angle_beta 100.49 _cell_angle_gamma 90 _chemical_formula_sum G198 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00000 0.09298 0.50000 Biso 1.000 C C2 1.0000 0.30219 0.96366 0.13369 Biso 1.000 C C3 1.0000 0.78712 0.16536 0.13336 Biso 1.000 C C4 1.0000 0.21288 0.16536 0.86664 Biso 1.000 C C5 1.0000 0.25600 0.26064 0.62766 Biso 1.000 C C6 1.0000 0.73068 0.84807 0.87842 Biso 1.000 C C7 1.0000 0.50000 0.02771 0.50000 Biso 1.000 C C8 1.0000 0.26931 0.84807 0.12158 Biso 1.000 C C9 1.0000 0.74400 0.26064 0.37234 Biso 1.000 C C10 1.0000 0.69781 0.96366 0.86631 Biso 1.000 C C11 1.0000 0.50000 0.59298 0.50000 Biso 1.000 C C12 1.0000 0.80219 0.46366 0.13369 Biso 1.000 C C13 1.0000 0.28712 0.66536 0.13336 Biso 1.000 C C14 1.0000 0.71288 0.66536 0.86664 Biso 1.000 C C15 1.0000 0.75600 0.76064 0.62766 Biso 1.000 C C16 1.0000 0.23068 0.34807 0.87842 Biso 1.000 C C17 1.0000 0.00000 0.52771 0.50000 Biso 1.000 C C18 1.0000 0.76931 0.34807 0.12158 Biso 1.000 C C19 1.0000 0.24400 0.76064 0.37234 Biso 1.000 C C20 1.0000 0.19781 0.46366 0.86631 Biso 1.000 C data_G199 _cell_length_a 4.71744 _cell_length_b 10.56 _cell_length_c 2.48886 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G199 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.82000 0.18471 -0.00000 Biso 1.000 C C2 1.0000 0.00000 0.00000 0.50000 Biso 1.000 C C3 1.0000 0.76135 0.10577 0.50000 Biso 1.000 C C4 1.0000 0.76135 0.89423 0.50000 Biso 1.000 C C5 1.0000 0.50000 0.00000 0.50000 Biso 1.000 C C6 1.0000 0.23865 0.89423 0.50000 Biso 1.000 C C7 1.0000 0.68000 0.31529 -0.00000 Biso 1.000 C C8 1.0000 0.23865 0.10577 0.50000 Biso 1.000 C C9 1.0000 0.18000 0.18471 -0.00000 Biso 1.000 C C10 1.0000 0.32000 0.31529 0.00000 Biso 1.000 C C11 1.0000 0.32000 0.68471 0.00000 Biso 1.000 C C12 1.0000 0.50000 0.50000 0.50000 Biso 1.000 C C13 1.0000 0.26135 0.60577 0.50000 Biso 1.000 C C14 1.0000 0.26135 0.39423 0.50000 Biso 1.000 C C15 1.0000 0.00000 0.50000 0.50000 Biso 1.000 C C16 1.0000 0.73865 0.39423 0.50000 Biso 1.000 C C17 1.0000 0.18000 0.81529 0.00000 Biso 1.000 C C18 1.0000 0.73865 0.60577 0.50000 Biso 1.000 C C19 1.0000 0.68000 0.68471 -0.00000 Biso 1.000 C C20 1.0000 0.82000 0.81529 0.00000 Biso 1.000 C data_G201 _cell_length_a 9.76783 _cell_length_b 2.57069 _cell_length_c 3.16925 _cell_angle_alpha 90 _cell_angle_beta 90.0038 _cell_angle_gamma 90 _chemical_formula_sum G201 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00000 0.15726 0.50000 Biso 1.000 C C2 1.0000 0.61333 0.89236 0.85684 Biso 1.000 C C3 1.0000 0.61334 0.42208 0.14307 Biso 1.000 C C4 1.0000 0.75000 0.90721 0.63049 Biso 1.000 C C5 1.0000 0.88667 0.39236 0.14316 Biso 1.000 C C6 1.0000 0.75000 0.40721 0.36951 Biso 1.000 C C7 1.0000 0.88666 0.92208 0.85693 Biso 1.000 C C8 1.0000 0.50000 0.65726 0.50000 Biso 1.000 C C9 1.0000 0.11333 0.39236 0.85684 Biso 1.000 C C10 1.0000 0.11334 0.92208 0.14307 Biso 1.000 C C11 1.0000 0.25000 0.40721 0.63049 Biso 1.000 C C12 1.0000 0.38667 0.89236 0.14316 Biso 1.000 C C13 1.0000 0.25000 0.90721 0.36951 Biso 1.000 C C14 1.0000 0.38666 0.42208 0.85693 Biso 1.000 C data_G202 _cell_length_a 3.54536 _cell_length_b 4.94367 _cell_length_c 3.44243 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G202 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.83710 0.35399 0.42712 Biso 1.000 C C2 1.0000 0.83710 0.64601 0.57288 Biso 1.000 C C3 1.0000 0.72533 0.00000 0.00000 Biso 1.000 C C4 1.0000 0.16290 0.64601 0.92712 Biso 1.000 C C5 1.0000 0.00000 0.17252 0.75000 Biso 1.000 C C6 1.0000 0.50000 0.80213 0.75000 Biso 1.000 C C7 1.0000 0.50000 0.19787 0.25000 Biso 1.000 C C8 1.0000 0.27467 0.00000 0.50000 Biso 1.000 C C9 1.0000 0.00000 0.82748 0.25000 Biso 1.000 C C10 1.0000 0.16290 0.35399 0.07288 Biso 1.000 C data_G204 _cell_length_a 4.69313 _cell_length_b 4.70322 _cell_length_c 4.72604 _cell_angle_alpha 103.319 _cell_angle_beta 98.7295 _cell_angle_gamma 102.65 _chemical_formula_sum G204 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.15934 0.76114 0.64729 Biso 1.000 C C2 1.0000 0.02030 0.42369 0.64547 Biso 1.000 C C3 1.0000 0.62899 0.67361 0.42733 Biso 1.000 C C4 1.0000 0.48060 0.89607 0.60633 Biso 1.000 C C5 1.0000 0.65358 0.96928 0.94285 Biso 1.000 C C6 1.0000 0.11711 0.42752 0.98657 Biso 1.000 C C7 1.0000 0.45661 0.11621 0.12283 Biso 1.000 C C8 1.0000 0.46406 0.46663 0.10435 Biso 1.000 C C9 1.0000 0.99381 0.68741 0.09925 Biso 1.000 C C10 1.0000 0.44277 0.15990 0.45799 Biso 1.000 C C11 1.0000 0.15034 0.92684 0.96614 Biso 1.000 C C12 1.0000 0.08282 0.16923 0.41435 Biso 1.000 C C13 1.0000 0.95716 0.83106 0.41068 Biso 1.000 C C14 1.0000 0.97794 0.14544 0.06071 Biso 1.000 C C15 1.0000 0.67152 0.62088 0.93208 Biso 1.000 C C16 1.0000 0.67717 0.45379 0.61529 Biso 1.000 C data_G205 _cell_length_a 5.48178 _cell_length_b 2.52495 _cell_length_c 7.19067 _cell_angle_alpha 90 _cell_angle_beta 105.124 _cell_angle_gamma 90 _chemical_formula_sum G205 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.32475 0.75000 0.44989 Biso 1.000 C C2 1.0000 0.42926 0.25000 0.37452 Biso 1.000 C C3 1.0000 0.71832 0.25000 0.15009 Biso 1.000 C C4 1.0000 0.55022 0.75000 0.82971 Biso 1.000 C C5 1.0000 0.04299 0.75000 0.06231 Biso 1.000 C C6 1.0000 0.03561 0.75000 0.44720 Biso 1.000 C C7 1.0000 0.96439 0.25000 0.55280 Biso 1.000 C C8 1.0000 0.57074 0.75000 0.62548 Biso 1.000 C C9 1.0000 0.11614 0.25000 0.78038 Biso 1.000 C C10 1.0000 0.88386 0.75000 0.21962 Biso 1.000 C C11 1.0000 0.68233 0.25000 0.92697 Biso 1.000 C C12 1.0000 0.44978 0.25000 0.17029 Biso 1.000 C C13 1.0000 0.28168 0.75000 0.84991 Biso 1.000 C C14 1.0000 0.67525 0.25000 0.55011 Biso 1.000 C C15 1.0000 0.31767 0.75000 0.07303 Biso 1.000 C C16 1.0000 0.95701 0.25000 0.93769 Biso 1.000 C data_G206 _cell_length_a 3.3816 _cell_length_b 3.48397 _cell_length_c 8.44565 _cell_angle_alpha 84.948 _cell_angle_beta 84.3129 _cell_angle_gamma 88.6006 _chemical_formula_sum G206 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.20591 0.71109 0.68778 Biso 1.000 C C2 1.0000 0.29303 0.78535 0.32351 Biso 1.000 C C3 1.0000 0.01484 0.03810 0.77952 Biso 1.000 C C4 1.0000 0.10223 0.43468 0.42019 Biso 1.000 C C5 1.0000 0.17376 0.00797 0.04943 Biso 1.000 C C6 1.0000 0.89777 0.56532 0.57981 Biso 1.000 C C7 1.0000 0.65129 0.65531 0.21621 Biso 1.000 C C8 1.0000 0.70697 0.21465 0.67649 Biso 1.000 C C9 1.0000 0.56441 0.90252 0.57978 Biso 1.000 C C10 1.0000 0.52784 0.68610 0.03797 Biso 1.000 C C11 1.0000 0.34871 0.34469 0.78379 Biso 1.000 C C12 1.0000 0.79409 0.28891 0.31222 Biso 1.000 C C13 1.0000 0.47216 0.31390 0.96203 Biso 1.000 C C14 1.0000 0.82624 0.99203 0.95057 Biso 1.000 C C15 1.0000 0.98516 0.96190 0.22048 Biso 1.000 C C16 1.0000 0.43559 0.09748 0.42022 Biso 1.000 C data_G207 _cell_length_a 3.34435 _cell_length_b 7.47784 _cell_length_c 4.76533 _cell_angle_alpha 90 _cell_angle_beta 120.416 _cell_angle_gamma 90 _chemical_formula_sum G207 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.31959 0.51218 0.82219 Biso 1.000 C C2 1.0000 0.07010 0.16850 0.81224 Biso 1.000 C C3 1.0000 0.92990 0.83150 0.18776 Biso 1.000 C C4 1.0000 0.31959 0.98782 0.32219 Biso 1.000 C C5 1.0000 0.92990 0.66850 0.68776 Biso 1.000 C C6 1.0000 0.68041 0.48782 0.17781 Biso 1.000 C C7 1.0000 0.99614 0.83783 0.87692 Biso 1.000 C C8 1.0000 0.47792 0.92233 0.08669 Biso 1.000 C C9 1.0000 0.00386 0.16217 0.12308 Biso 1.000 C C10 1.0000 0.68041 0.01218 0.67781 Biso 1.000 C C11 1.0000 0.99614 0.66217 0.37692 Biso 1.000 C C12 1.0000 0.47792 0.57767 0.58669 Biso 1.000 C C13 1.0000 0.07010 0.33150 0.31224 Biso 1.000 C C14 1.0000 0.00386 0.33783 0.62308 Biso 1.000 C C15 1.0000 0.52208 0.42233 0.41331 Biso 1.000 C C16 1.0000 0.52208 0.07767 0.91331 Biso 1.000 C data_G208 _cell_length_a 3.43388 _cell_length_b 7.52133 _cell_length_c 4.33542 _cell_angle_alpha 90 _cell_angle_beta 121.94 _cell_angle_gamma 90 _chemical_formula_sum G208 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.02005 0.15580 0.74214 Biso 1.000 C C2 1.0000 0.05614 0.83906 0.65361 Biso 1.000 C C3 1.0000 0.71719 0.98477 0.67471 Biso 1.000 C C4 1.0000 0.02005 0.34420 0.24214 Biso 1.000 C C5 1.0000 0.05614 0.66094 0.15361 Biso 1.000 C C6 1.0000 0.54873 0.57882 0.42304 Biso 1.000 C C7 1.0000 0.28281 0.01523 0.32529 Biso 1.000 C C8 1.0000 0.71719 0.51523 0.17471 Biso 1.000 C C9 1.0000 0.94386 0.33906 0.84639 Biso 1.000 C C10 1.0000 0.97996 0.84420 0.25786 Biso 1.000 C C11 1.0000 0.45127 0.42118 0.57696 Biso 1.000 C C12 1.0000 0.28281 0.48477 0.82529 Biso 1.000 C C13 1.0000 0.94386 0.16094 0.34639 Biso 1.000 C C14 1.0000 0.54873 0.92118 0.92304 Biso 1.000 C C15 1.0000 0.45127 0.07882 0.07696 Biso 1.000 C C16 1.0000 0.97996 0.65580 0.75786 Biso 1.000 C data_G209 _cell_length_a 8.47095 _cell_length_b 4.79413 _cell_length_c 4.75023 _cell_angle_alpha 90 _cell_angle_beta 101.894 _cell_angle_gamma 90 _chemical_formula_sum G209 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.57083 0.90304 0.52688 Biso 1.000 C C2 1.0000 0.70148 0.31442 0.59738 Biso 1.000 C C3 1.0000 0.67407 0.05145 0.78396 Biso 1.000 C C4 1.0000 0.92917 0.59696 0.47312 Biso 1.000 C C5 1.0000 0.79852 0.18558 0.40262 Biso 1.000 C C6 1.0000 0.92917 0.40304 0.97312 Biso 1.000 C C7 1.0000 0.82593 0.55145 0.71604 Biso 1.000 C C8 1.0000 0.47951 0.62817 0.57311 Biso 1.000 C C9 1.0000 0.47951 0.37183 0.07311 Biso 1.000 C C10 1.0000 0.52049 0.37183 0.42689 Biso 1.000 C C11 1.0000 0.57083 0.09696 0.02688 Biso 1.000 C C12 1.0000 0.70148 0.68558 0.09738 Biso 1.000 C C13 1.0000 0.67407 0.94855 0.28396 Biso 1.000 C C14 1.0000 0.82593 0.44855 0.21604 Biso 1.000 C C15 1.0000 0.52049 0.62817 0.92689 Biso 1.000 C C16 1.0000 0.79852 0.81442 0.90262 Biso 1.000 C C17 1.0000 0.07083 0.40304 0.52688 Biso 1.000 C C18 1.0000 0.20148 0.81442 0.59738 Biso 1.000 C C19 1.0000 0.17407 0.55145 0.78396 Biso 1.000 C C20 1.0000 0.42917 0.09696 0.47312 Biso 1.000 C C21 1.0000 0.29852 0.68558 0.40262 Biso 1.000 C C22 1.0000 0.42917 0.90304 0.97312 Biso 1.000 C C23 1.0000 0.32593 0.05145 0.71604 Biso 1.000 C C24 1.0000 0.97951 0.12817 0.57311 Biso 1.000 C C25 1.0000 0.97951 0.87183 0.07311 Biso 1.000 C C26 1.0000 0.02049 0.87183 0.42689 Biso 1.000 C C27 1.0000 0.07083 0.59696 0.02688 Biso 1.000 C C28 1.0000 0.20148 0.18558 0.09738 Biso 1.000 C C29 1.0000 0.17407 0.44855 0.28396 Biso 1.000 C C30 1.0000 0.32593 0.94855 0.21604 Biso 1.000 C C31 1.0000 0.02049 0.12817 0.92689 Biso 1.000 C C32 1.0000 0.29852 0.31442 0.90262 Biso 1.000 C data_G210 _cell_length_a 4.56347 _cell_length_b 5.03505 _cell_length_c 8.43926 _cell_angle_alpha 90 _cell_angle_beta 98.0202 _cell_angle_gamma 90 _chemical_formula_sum G210 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.88204 0.06434 0.32199 Biso 1.000 C C2 1.0000 0.15725 0.57568 0.84139 Biso 1.000 C C3 1.0000 0.11162 0.33414 0.94382 Biso 1.000 C C4 1.0000 0.84275 0.57568 0.15861 Biso 1.000 C C5 1.0000 0.48069 0.57571 0.15604 Biso 1.000 C C6 1.0000 0.90749 0.33494 0.41666 Biso 1.000 C C7 1.0000 0.61796 0.56434 0.67801 Biso 1.000 C C8 1.0000 0.04969 0.83551 0.41665 Biso 1.000 C C9 1.0000 0.88920 0.81633 0.05641 Biso 1.000 C C10 1.0000 0.51931 0.57571 0.84396 Biso 1.000 C C11 1.0000 0.09251 0.33494 0.58333 Biso 1.000 C C12 1.0000 0.97396 0.56440 0.67651 Biso 1.000 C C13 1.0000 0.02604 0.56440 0.32349 Biso 1.000 C C14 1.0000 0.11080 0.81633 0.94359 Biso 1.000 C C15 1.0000 0.95031 0.83551 0.58335 Biso 1.000 C C16 1.0000 0.88838 0.33414 0.05618 Biso 1.000 C C17 1.0000 0.38204 0.56434 0.32199 Biso 1.000 C C18 1.0000 0.65725 0.07568 0.84139 Biso 1.000 C C19 1.0000 0.61162 0.83414 0.94382 Biso 1.000 C C20 1.0000 0.34275 0.07568 0.15861 Biso 1.000 C C21 1.0000 0.98069 0.07571 0.15604 Biso 1.000 C C22 1.0000 0.40749 0.83494 0.41666 Biso 1.000 C C23 1.0000 0.11796 0.06434 0.67801 Biso 1.000 C C24 1.0000 0.54969 0.33551 0.41665 Biso 1.000 C C25 1.0000 0.38920 0.31633 0.05641 Biso 1.000 C C26 1.0000 0.01931 0.07571 0.84396 Biso 1.000 C C27 1.0000 0.59251 0.83494 0.58333 Biso 1.000 C C28 1.0000 0.47396 0.06440 0.67651 Biso 1.000 C C29 1.0000 0.52604 0.06440 0.32349 Biso 1.000 C C30 1.0000 0.61080 0.31633 0.94359 Biso 1.000 C C31 1.0000 0.45031 0.33551 0.58335 Biso 1.000 C C32 1.0000 0.38838 0.83414 0.05618 Biso 1.000 C data_G212 _cell_length_a 4.13955 _cell_length_b 4.64769 _cell_length_c 4.54367 _cell_angle_alpha 90 _cell_angle_beta 97.1253 _cell_angle_gamma 90 _chemical_formula_sum G212 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.70080 0.44380 0.67047 Biso 1.000 C C2 1.0000 0.15450 0.66053 0.42360 Biso 1.000 C C3 1.0000 0.93612 0.93470 0.82125 Biso 1.000 C C4 1.0000 0.66575 0.84853 0.02660 Biso 1.000 C C5 1.0000 0.66412 0.92819 0.36860 Biso 1.000 C C6 1.0000 0.33425 0.34853 0.97340 Biso 1.000 C C7 1.0000 0.06387 0.43470 0.17875 Biso 1.000 C C8 1.0000 0.29920 0.94380 0.32953 Biso 1.000 C C9 1.0000 0.14307 0.21308 0.43332 Biso 1.000 C C10 1.0000 0.85693 0.71308 0.56668 Biso 1.000 C C11 1.0000 0.84550 0.16053 0.57640 Biso 1.000 C C12 1.0000 0.29682 0.99870 0.99362 Biso 1.000 C C13 1.0000 0.70318 0.49870 0.00638 Biso 1.000 C C14 1.0000 0.33588 0.42819 0.63140 Biso 1.000 C data_G213 _cell_length_a 4.12218 _cell_length_b 2.52964 _cell_length_c 8.00493 _cell_angle_alpha 90 _cell_angle_beta 99.7854 _cell_angle_gamma 90 _chemical_formula_sum G213 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.33418 0.25000 0.34991 Biso 1.000 C C2 1.0000 0.84909 0.75000 0.83995 Biso 1.000 C C3 1.0000 0.78676 0.25000 0.11219 Biso 1.000 C C4 1.0000 0.66582 0.75000 0.65009 Biso 1.000 C C5 1.0000 0.43168 0.25000 0.64736 Biso 1.000 C C6 1.0000 0.56832 0.75000 0.35264 Biso 1.000 C C7 1.0000 0.36901 0.25000 0.83170 Biso 1.000 C C8 1.0000 0.15091 0.25000 0.16005 Biso 1.000 C C9 1.0000 0.88172 0.75000 0.50088 Biso 1.000 C C10 1.0000 0.27869 0.75000 0.08385 Biso 1.000 C C11 1.0000 0.11828 0.25000 0.49912 Biso 1.000 C C12 1.0000 0.72131 0.25000 0.91615 Biso 1.000 C C13 1.0000 0.63099 0.75000 0.16830 Biso 1.000 C C14 1.0000 0.21324 0.75000 0.88781 Biso 1.000 C data_G214 _cell_length_a 3.36972 _cell_length_b 4.43095 _cell_length_c 5.85145 _cell_angle_alpha 90.9997 _cell_angle_beta 93.4786 _cell_angle_gamma 98.7991 _chemical_formula_sum G214 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.75917 0.61683 0.94861 Biso 1.000 C C2 1.0000 0.05178 0.57449 0.75669 Biso 1.000 C C3 1.0000 0.46776 0.46416 0.47772 Biso 1.000 C C4 1.0000 0.27219 0.11562 0.18542 Biso 1.000 C C5 1.0000 0.60945 0.18247 0.38190 Biso 1.000 C C6 1.0000 0.39872 0.76960 0.89392 Biso 1.000 C C7 1.0000 0.13621 0.58878 0.32624 Biso 1.000 C C8 1.0000 0.14991 0.78824 0.10963 Biso 1.000 C C9 1.0000 0.93343 0.27954 0.22454 Biso 1.000 C C10 1.0000 0.19467 0.27729 0.67013 Biso 1.000 C C11 1.0000 0.79797 0.04077 0.59053 Biso 1.000 C C12 1.0000 0.86276 0.69594 0.53866 Biso 1.000 C C13 1.0000 0.62742 0.28939 0.02195 Biso 1.000 C C14 1.0000 0.51437 0.08854 0.80040 Biso 1.000 C data_G215 _cell_length_a 4.17068 _cell_length_b 4.22012 _cell_length_c 5.34789 _cell_angle_alpha 74.0564 _cell_angle_beta 75.4803 _cell_angle_gamma 70.7651 _chemical_formula_sum G215 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.86720 0.12605 0.16030 Biso 1.000 C C2 1.0000 0.36603 0.60065 0.41367 Biso 1.000 C C3 1.0000 0.19631 0.40950 0.28607 Biso 1.000 C C4 1.0000 0.63397 0.39935 0.58633 Biso 1.000 C C5 1.0000 0.04694 0.25746 0.87519 Biso 1.000 C C6 1.0000 0.44462 0.20908 0.83891 Biso 1.000 C C7 1.0000 0.55538 0.79092 0.16109 Biso 1.000 C C8 1.0000 0.13280 0.87395 0.83970 Biso 1.000 C C9 1.0000 0.93565 0.18105 0.41676 Biso 1.000 C C10 1.0000 0.95306 0.74254 0.12481 Biso 1.000 C C11 1.0000 0.80369 0.59050 0.71393 Biso 1.000 C C12 1.0000 0.06435 0.81895 0.58324 Biso 1.000 C C13 1.0000 0.50492 0.81493 0.87779 Biso 1.000 C C14 1.0000 0.49508 0.18507 0.12221 Biso 1.000 C data_G216 _cell_length_a 2.50564 _cell_length_b 4.77797 _cell_length_c 6.97118 _cell_angle_alpha 83.757 _cell_angle_beta 86.2689 _cell_angle_gamma 82.7283 _chemical_formula_sum G216 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.56860 0.19164 0.66476 Biso 1.000 C C2 1.0000 0.45755 0.06197 0.27836 Biso 1.000 C C3 1.0000 0.64621 0.52489 0.22924 Biso 1.000 C C4 1.0000 0.69959 0.85157 0.68774 Biso 1.000 C C5 1.0000 0.58865 0.03755 0.04679 Biso 1.000 C C6 1.0000 0.10759 0.46482 0.90990 Biso 1.000 C C7 1.0000 0.91564 0.67247 0.50843 Biso 1.000 C C8 1.0000 0.60882 0.28746 0.88293 Biso 1.000 C C9 1.0000 0.89877 0.22796 0.33610 Biso 1.000 C C10 1.0000 0.16929 0.76808 0.80667 Biso 1.000 C C11 1.0000 0.46351 0.73950 0.38016 Biso 1.000 C C12 1.0000 0.00455 0.31979 0.55053 Biso 1.000 C C13 1.0000 0.14022 0.58008 0.10777 Biso 1.000 C C14 1.0000 0.13401 0.87573 0.00692 Biso 1.000 C data_G217 _cell_length_a 4.58114 _cell_length_b 9.20612 _cell_length_c 3.66905 _cell_angle_alpha 90 _cell_angle_beta 109.245 _cell_angle_gamma 90 _chemical_formula_sum G217 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.67563 0.92145 0.81315 Biso 1.000 C C2 1.0000 0.17796 0.17671 0.41809 Biso 1.000 C C3 1.0000 0.17371 0.92769 0.25979 Biso 1.000 C C4 1.0000 0.32437 0.92145 0.68685 Biso 1.000 C C5 1.0000 0.82629 0.92769 0.24021 Biso 1.000 C C6 1.0000 0.67563 0.07855 0.31315 Biso 1.000 C C7 1.0000 0.32204 0.32329 0.58191 Biso 1.000 C C8 1.0000 0.67796 0.32329 0.91809 Biso 1.000 C C9 1.0000 0.17371 0.07231 0.75979 Biso 1.000 C C10 1.0000 0.32437 0.07855 0.18685 Biso 1.000 C C11 1.0000 0.82629 0.07231 0.74021 Biso 1.000 C C12 1.0000 0.82204 0.17671 0.08192 Biso 1.000 C C13 1.0000 0.17563 0.42145 0.81315 Biso 1.000 C C14 1.0000 0.67796 0.67671 0.41809 Biso 1.000 C C15 1.0000 0.67371 0.42769 0.25979 Biso 1.000 C C16 1.0000 0.82437 0.42145 0.68685 Biso 1.000 C C17 1.0000 0.32629 0.42769 0.24021 Biso 1.000 C C18 1.0000 0.17563 0.57855 0.31315 Biso 1.000 C C19 1.0000 0.82204 0.82329 0.58192 Biso 1.000 C C20 1.0000 0.17796 0.82329 0.91809 Biso 1.000 C C21 1.0000 0.67371 0.57231 0.75979 Biso 1.000 C C22 1.0000 0.82437 0.57855 0.18685 Biso 1.000 C C23 1.0000 0.32629 0.57231 0.74021 Biso 1.000 C C24 1.0000 0.32204 0.67671 0.08191 Biso 1.000 C data_G218 _cell_length_a 4.86876 _cell_length_b 4.95765 _cell_length_c 12.3716 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G218 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.75000 0.75000 0.87295 Biso 1.000 C C2 1.0000 0.75000 0.25000 0.87295 Biso 1.000 C C3 1.0000 0.75000 0.75000 0.12705 Biso 1.000 C C4 1.0000 -0.00000 0.65633 0.93693 Biso 1.000 C C5 1.0000 0.83298 0.50000 0.69626 Biso 1.000 C C6 1.0000 0.66702 0.50000 0.80374 Biso 1.000 C C7 1.0000 0.83298 -0.00000 0.80374 Biso 1.000 C C8 1.0000 0.50000 0.84366 0.93693 Biso 1.000 C C9 1.0000 0.25000 0.75000 0.12705 Biso 1.000 C C10 1.0000 0.50000 0.15633 0.06308 Biso 1.000 C C11 1.0000 0.50000 0.84366 0.06308 Biso 1.000 C C12 1.0000 0.16702 0.50000 0.69626 Biso 1.000 C C13 1.0000 0.75000 0.25000 0.37295 Biso 1.000 C C14 1.0000 0.75000 0.75000 0.37295 Biso 1.000 C C15 1.0000 0.75000 0.25000 0.62705 Biso 1.000 C C16 1.0000 -0.00000 0.15633 0.43693 Biso 1.000 C C17 1.0000 0.83298 -0.00000 0.19626 Biso 1.000 C C18 1.0000 0.66702 0.00000 0.30374 Biso 1.000 C C19 1.0000 0.83298 0.50000 0.30374 Biso 1.000 C C20 1.0000 0.50000 0.34366 0.43693 Biso 1.000 C C21 1.0000 0.25000 0.25000 0.62705 Biso 1.000 C C22 1.0000 0.50000 0.65633 0.56308 Biso 1.000 C C23 1.0000 0.50000 0.34366 0.56308 Biso 1.000 C C24 1.0000 0.16702 -0.00000 0.19626 Biso 1.000 C C25 1.0000 0.25000 0.75000 0.37295 Biso 1.000 C C26 1.0000 0.25000 0.25000 0.37295 Biso 1.000 C C27 1.0000 0.25000 0.75000 0.62705 Biso 1.000 C C28 1.0000 0.50000 0.65633 0.43693 Biso 1.000 C C29 1.0000 0.33298 0.50000 0.19626 Biso 1.000 C C30 1.0000 0.16702 0.50000 0.30374 Biso 1.000 C C31 1.0000 0.33298 0.00000 0.30374 Biso 1.000 C C32 1.0000 -0.00000 0.84366 0.43693 Biso 1.000 C C33 1.0000 0.75000 0.75000 0.62705 Biso 1.000 C C34 1.0000 -0.00000 0.15633 0.56308 Biso 1.000 C C35 1.0000 0.00000 0.84366 0.56308 Biso 1.000 C C36 1.0000 0.66702 0.50000 0.19626 Biso 1.000 C C37 1.0000 0.25000 0.25000 0.87295 Biso 1.000 C C38 1.0000 0.25000 0.75000 0.87295 Biso 1.000 C C39 1.0000 0.25000 0.25000 0.12705 Biso 1.000 C C40 1.0000 0.50000 0.15633 0.93693 Biso 1.000 C C41 1.0000 0.33298 -0.00000 0.69626 Biso 1.000 C C42 1.0000 0.16702 0.00000 0.80374 Biso 1.000 C C43 1.0000 0.33298 0.50000 0.80374 Biso 1.000 C C44 1.0000 0.00000 0.34366 0.93693 Biso 1.000 C C45 1.0000 0.75000 0.25000 0.12705 Biso 1.000 C C46 1.0000 -0.00000 0.65633 0.06308 Biso 1.000 C C47 1.0000 0.00000 0.34366 0.06308 Biso 1.000 C C48 1.0000 0.66702 -0.00000 0.69626 Biso 1.000 C data_G219 _cell_length_a 4.49029 _cell_length_b 9.28388 _cell_length_c 3.72124 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G219 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.07809 0.82732 0.21807 Biso 1.000 C C2 1.0000 0.92578 0.83272 0.85828 Biso 1.000 C C3 1.0000 0.42578 0.66728 0.35828 Biso 1.000 C C4 1.0000 0.42191 0.82732 0.21807 Biso 1.000 C C5 1.0000 0.93045 0.57488 0.06053 Biso 1.000 C C6 1.0000 0.06955 0.92512 0.56053 Biso 1.000 C C7 1.0000 0.56955 0.57488 0.06053 Biso 1.000 C C8 1.0000 0.07422 0.66728 0.35828 Biso 1.000 C C9 1.0000 0.43045 0.92512 0.56053 Biso 1.000 C C10 1.0000 0.92191 0.67268 0.71807 Biso 1.000 C C11 1.0000 0.57422 0.83272 0.85828 Biso 1.000 C C12 1.0000 0.57809 0.67268 0.71807 Biso 1.000 C C13 1.0000 0.07809 0.32732 0.71807 Biso 1.000 C C14 1.0000 0.92578 0.33272 0.35828 Biso 1.000 C C15 1.0000 0.42578 0.16728 0.85828 Biso 1.000 C C16 1.0000 0.42191 0.32732 0.71807 Biso 1.000 C C17 1.0000 0.93045 0.07488 0.56053 Biso 1.000 C C18 1.0000 0.06955 0.42512 0.06053 Biso 1.000 C C19 1.0000 0.56955 0.07488 0.56053 Biso 1.000 C C20 1.0000 0.07422 0.16728 0.85828 Biso 1.000 C C21 1.0000 0.43045 0.42512 0.06053 Biso 1.000 C C22 1.0000 0.92191 0.17268 0.21807 Biso 1.000 C C23 1.0000 0.57422 0.33272 0.35828 Biso 1.000 C C24 1.0000 0.57809 0.17268 0.21807 Biso 1.000 C data_G220 _cell_length_a 4.98407 _cell_length_b 8.64893 _cell_length_c 3.7856 _cell_angle_alpha 90 _cell_angle_beta 111.303 _cell_angle_gamma 90 _chemical_formula_sum G220 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.28573 0.33948 0.88303 Biso 1.000 C C2 1.0000 0.46796 0.58947 0.26367 Biso 1.000 C C3 1.0000 0.78302 0.34075 0.91499 Biso 1.000 C C4 1.0000 0.28573 0.66052 0.88303 Biso 1.000 C C5 1.0000 0.78302 0.65925 0.91499 Biso 1.000 C C6 1.0000 0.48075 0.40497 0.67552 Biso 1.000 C C7 1.0000 0.98312 0.59132 0.72885 Biso 1.000 C C8 1.0000 0.79231 0.59055 0.29231 Biso 1.000 C C9 1.0000 0.48075 0.59503 0.67552 Biso 1.000 C C10 1.0000 0.46796 0.41053 0.26367 Biso 1.000 C C11 1.0000 0.98312 0.40868 0.72885 Biso 1.000 C C12 1.0000 0.79231 0.40945 0.29231 Biso 1.000 C C13 1.0000 0.78573 0.83948 0.88303 Biso 1.000 C C14 1.0000 0.96796 0.08947 0.26367 Biso 1.000 C C15 1.0000 0.28302 0.84075 0.91499 Biso 1.000 C C16 1.0000 0.78573 0.16052 0.88303 Biso 1.000 C C17 1.0000 0.28302 0.15925 0.91499 Biso 1.000 C C18 1.0000 0.98075 0.90497 0.67552 Biso 1.000 C C19 1.0000 0.48312 0.09132 0.72885 Biso 1.000 C C20 1.0000 0.29231 0.09055 0.29231 Biso 1.000 C C21 1.0000 0.98075 0.09503 0.67552 Biso 1.000 C C22 1.0000 0.96796 0.91053 0.26367 Biso 1.000 C C23 1.0000 0.48312 0.90868 0.72885 Biso 1.000 C C24 1.0000 0.29231 0.90945 0.29231 Biso 1.000 C data_G221 _cell_length_a 5.92432 _cell_length_b 5.6071 _cell_length_c 4.67547 _cell_angle_alpha 90 _cell_angle_beta 108.712 _cell_angle_gamma 90 _chemical_formula_sum G221 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.39235 0.41203 0.99991 Biso 1.000 C C2 1.0000 0.32159 0.13839 0.44308 Biso 1.000 C C3 1.0000 0.44359 0.34938 0.35723 Biso 1.000 C C4 1.0000 0.45955 0.04596 0.76761 Biso 1.000 C C5 1.0000 0.94360 0.15062 0.85723 Biso 1.000 C C6 1.0000 0.82159 0.36161 0.94308 Biso 1.000 C C7 1.0000 0.14005 0.65857 0.29882 Biso 1.000 C C8 1.0000 0.58376 0.24863 0.97382 Biso 1.000 C C9 1.0000 0.14005 0.34143 0.79882 Biso 1.000 C C10 1.0000 0.39235 0.58797 0.49991 Biso 1.000 C C11 1.0000 0.08376 0.25137 0.47382 Biso 1.000 C C12 1.0000 0.95955 0.45404 0.26761 Biso 1.000 C C13 1.0000 0.89235 0.91203 0.99991 Biso 1.000 C C14 1.0000 0.82159 0.63839 0.44308 Biso 1.000 C C15 1.0000 0.94359 0.84938 0.35723 Biso 1.000 C C16 1.0000 0.95955 0.54596 0.76761 Biso 1.000 C C17 1.0000 0.44359 0.65062 0.85723 Biso 1.000 C C18 1.0000 0.32159 0.86161 0.94308 Biso 1.000 C C19 1.0000 0.64005 0.15857 0.29882 Biso 1.000 C C20 1.0000 0.08376 0.74863 0.97382 Biso 1.000 C C21 1.0000 0.64005 0.84143 0.79882 Biso 1.000 C C22 1.0000 0.89235 0.08797 0.49991 Biso 1.000 C C23 1.0000 0.58376 0.75137 0.47382 Biso 1.000 C C24 1.0000 0.45955 0.95404 0.26761 Biso 1.000 C data_G222 _cell_length_a 3.33553 _cell_length_b 3.68024 _cell_length_c 5.43677 _cell_angle_alpha 106.39 _cell_angle_beta 94.7573 _cell_angle_gamma 98.0707 _chemical_formula_sum G222 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.27574 0.87245 0.95047 Biso 1.000 C C2 1.0000 0.98580 0.88166 0.15908 Biso 1.000 C C3 1.0000 0.49814 0.33425 0.56802 Biso 1.000 C C4 1.0000 0.50186 0.66575 0.43198 Biso 1.000 C C5 1.0000 0.34880 0.47302 0.86393 Biso 1.000 C C6 1.0000 0.82139 0.01949 0.57233 Biso 1.000 C C7 1.0000 0.65120 0.52698 0.13607 Biso 1.000 C C8 1.0000 0.01420 0.11834 0.84092 Biso 1.000 C C9 1.0000 0.17861 0.98051 0.42767 Biso 1.000 C C10 1.0000 0.72426 0.12755 0.04953 Biso 1.000 C data_G223 _cell_length_a 4.01006 _cell_length_b 4.88895 _cell_length_c 6.513 _cell_angle_alpha 90 _cell_angle_beta 106.922 _cell_angle_gamma 90 _chemical_formula_sum G223 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.49966 0.74961 0.61365 Biso 1.000 C C2 1.0000 0.70001 0.23727 0.93021 Biso 1.000 C C3 1.0000 0.62194 0.74307 0.96153 Biso 1.000 C C4 1.0000 0.12194 0.75693 0.46153 Biso 1.000 C C5 1.0000 0.53568 0.98256 0.80801 Biso 1.000 C C6 1.0000 0.70001 0.76273 0.43021 Biso 1.000 C C7 1.0000 0.66197 0.47169 0.30428 Biso 1.000 C C8 1.0000 0.99966 0.75039 0.11365 Biso 1.000 C C9 1.0000 0.66197 0.52831 0.80428 Biso 1.000 C C10 1.0000 0.53568 0.01744 0.30801 Biso 1.000 C C11 1.0000 0.99966 0.24961 0.61365 Biso 1.000 C C12 1.0000 0.20001 0.73727 0.93021 Biso 1.000 C C13 1.0000 0.12194 0.24307 0.96153 Biso 1.000 C C14 1.0000 0.62194 0.25693 0.46153 Biso 1.000 C C15 1.0000 0.03568 0.48256 0.80801 Biso 1.000 C C16 1.0000 0.20001 0.26273 0.43021 Biso 1.000 C C17 1.0000 0.16197 0.97169 0.30428 Biso 1.000 C C18 1.0000 0.49966 0.25039 0.11365 Biso 1.000 C C19 1.0000 0.16197 0.02831 0.80428 Biso 1.000 C C20 1.0000 0.03568 0.51744 0.30801 Biso 1.000 C data_G225 _cell_length_a 17.8582 _cell_length_b 2.5257 _cell_length_c 4.25778 _cell_angle_alpha 90 _cell_angle_beta 103.44 _cell_angle_gamma 90 _chemical_formula_sum G225 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.64064 0.00000 0.47542 Biso 1.000 C C2 1.0000 0.73390 0.00000 0.56569 Biso 1.000 C C3 1.0000 0.61496 0.50000 0.62822 Biso 1.000 C C4 1.0000 0.76359 -0.00000 0.92882 Biso 1.000 C C5 1.0000 0.76610 0.50000 0.43431 Biso 1.000 C C6 1.0000 0.35936 0.00000 0.52458 Biso 1.000 C C7 1.0000 0.52974 0.50000 0.66687 Biso 1.000 C C8 1.0000 0.61645 0.00000 0.10590 Biso 1.000 C C9 1.0000 0.84975 0.00000 0.01273 Biso 1.000 C C10 1.0000 0.38354 0.00000 0.89410 Biso 1.000 C C11 1.0000 0.65025 0.50000 0.98727 Biso 1.000 C C12 1.0000 0.38504 0.50000 0.37178 Biso 1.000 C C13 1.0000 0.53006 0.00000 0.89228 Biso 1.000 C C14 1.0000 0.47026 0.50000 0.33313 Biso 1.000 C C15 1.0000 0.46994 -0.00000 0.10772 Biso 1.000 C C16 1.0000 0.73641 0.50000 0.07118 Biso 1.000 C C17 1.0000 0.14064 0.50000 0.47542 Biso 1.000 C C18 1.0000 0.23390 0.50000 0.56569 Biso 1.000 C C19 1.0000 0.11496 -0.00000 0.62822 Biso 1.000 C C20 1.0000 0.26359 0.50000 0.92882 Biso 1.000 C C21 1.0000 0.26610 -0.00000 0.43431 Biso 1.000 C C22 1.0000 0.85936 0.50000 0.52458 Biso 1.000 C C23 1.0000 0.02974 -0.00000 0.66687 Biso 1.000 C C24 1.0000 0.11646 0.50000 0.10590 Biso 1.000 C C25 1.0000 0.34975 0.50000 0.01273 Biso 1.000 C C26 1.0000 0.88354 0.50000 0.89410 Biso 1.000 C C27 1.0000 0.15025 -0.00000 0.98727 Biso 1.000 C C28 1.0000 0.88504 0.00000 0.37178 Biso 1.000 C C29 1.0000 0.03006 0.50000 0.89228 Biso 1.000 C C30 1.0000 0.97026 0.00000 0.33313 Biso 1.000 C C31 1.0000 0.96994 0.50000 0.10772 Biso 1.000 C C32 1.0000 0.23641 0.00000 0.07118 Biso 1.000 C data_G227 _cell_length_a 5.49343 _cell_length_b 2.53025 _cell_length_c 5.27448 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G227 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.33515 0.75000 0.97062 Biso 1.000 C C2 1.0000 0.66485 0.25000 0.02938 Biso 1.000 C C3 1.0000 0.16485 0.25000 0.47062 Biso 1.000 C C4 1.0000 0.06506 0.75000 0.05167 Biso 1.000 C C5 1.0000 0.56506 0.75000 0.44833 Biso 1.000 C C6 1.0000 0.56397 0.75000 0.15875 Biso 1.000 C C7 1.0000 0.93494 0.25000 0.94833 Biso 1.000 C C8 1.0000 0.06397 0.75000 0.34125 Biso 1.000 C C9 1.0000 0.83515 0.75000 0.52938 Biso 1.000 C C10 1.0000 0.43494 0.25000 0.55167 Biso 1.000 C C11 1.0000 0.93603 0.25000 0.65875 Biso 1.000 C C12 1.0000 0.43603 0.25000 0.84125 Biso 1.000 C data_G228 _cell_length_a 3.771 _cell_length_b 4.28507 _cell_length_c 5.0198 _cell_angle_alpha 90 _cell_angle_beta 112.512 _cell_angle_gamma 90 _chemical_formula_sum G228 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.91105 0.06824 0.35100 Biso 1.000 C C2 1.0000 0.13924 0.06761 0.14437 Biso 1.000 C C3 1.0000 0.13924 0.43239 0.14437 Biso 1.000 C C4 1.0000 0.51859 0.93510 0.15406 Biso 1.000 C C5 1.0000 0.51859 0.56490 0.15406 Biso 1.000 C C6 1.0000 0.86076 0.93239 0.85563 Biso 1.000 C C7 1.0000 0.86076 0.56761 0.85563 Biso 1.000 C C8 1.0000 0.48141 0.43510 0.84594 Biso 1.000 C C9 1.0000 0.08895 0.56824 0.64900 Biso 1.000 C C10 1.0000 0.48141 0.06490 0.84594 Biso 1.000 C C11 1.0000 0.91105 0.43176 0.35100 Biso 1.000 C C12 1.0000 0.08895 0.93176 0.64900 Biso 1.000 C data_G229 _cell_length_a 3.83307 _cell_length_b 15.4508 _cell_length_c 2.51839 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G229 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.29508 0.22236 0.25000 Biso 1.000 C C2 1.0000 0.70592 0.02894 0.75000 Biso 1.000 C C3 1.0000 0.79508 0.27764 0.75000 Biso 1.000 C C4 1.0000 0.70492 0.22236 0.25000 Biso 1.000 C C5 1.0000 0.50000 0.40408 0.25000 Biso 1.000 C C6 1.0000 0.00000 0.15223 0.25000 Biso 1.000 C C7 1.0000 0.20592 0.47106 0.25000 Biso 1.000 C C8 1.0000 0.50000 0.34777 0.75000 Biso 1.000 C C9 1.0000 0.29408 0.02894 0.75000 Biso 1.000 C C10 1.0000 0.00000 0.09592 0.75000 Biso 1.000 C C11 1.0000 0.79408 0.47106 0.25000 Biso 1.000 C C12 1.0000 0.20492 0.27764 0.75000 Biso 1.000 C C13 1.0000 0.79508 0.72236 0.25000 Biso 1.000 C C14 1.0000 0.20592 0.52894 0.75000 Biso 1.000 C C15 1.0000 0.29508 0.77764 0.75000 Biso 1.000 C C16 1.0000 0.20492 0.72236 0.25000 Biso 1.000 C C17 1.0000 0.00000 0.90408 0.25000 Biso 1.000 C C18 1.0000 0.50000 0.65223 0.25000 Biso 1.000 C C19 1.0000 0.70592 0.97106 0.25000 Biso 1.000 C C20 1.0000 0.00000 0.84777 0.75000 Biso 1.000 C C21 1.0000 0.79408 0.52894 0.75000 Biso 1.000 C C22 1.0000 0.50000 0.59592 0.75000 Biso 1.000 C C23 1.0000 0.29408 0.97106 0.25000 Biso 1.000 C C24 1.0000 0.70492 0.77764 0.75000 Biso 1.000 C data_G230 _cell_length_a 5.19152 _cell_length_b 3.43229 _cell_length_c 5.97369 _cell_angle_alpha 90 _cell_angle_beta 117.706 _cell_angle_gamma 90 _chemical_formula_sum G230 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.92747 0.61744 0.56241 Biso 1.000 C C2 1.0000 0.31316 0.20696 0.67381 Biso 1.000 C C3 1.0000 0.18254 0.87679 0.76885 Biso 1.000 C C4 1.0000 0.81746 0.12321 0.23115 Biso 1.000 C C5 1.0000 0.31316 0.29304 0.17381 Biso 1.000 C C6 1.0000 0.92747 0.88256 0.06241 Biso 1.000 C C7 1.0000 0.56421 0.05758 0.63645 Biso 1.000 C C8 1.0000 0.43579 0.55758 0.86355 Biso 1.000 C C9 1.0000 0.18254 0.62321 0.26885 Biso 1.000 C C10 1.0000 0.43579 0.94242 0.36355 Biso 1.000 C C11 1.0000 0.68684 0.70696 0.82619 Biso 1.000 C C12 1.0000 0.68684 0.79304 0.32619 Biso 1.000 C C13 1.0000 0.07253 0.11744 0.93759 Biso 1.000 C C14 1.0000 0.07253 0.38256 0.43759 Biso 1.000 C C15 1.0000 0.81746 0.37679 0.73115 Biso 1.000 C C16 1.0000 0.56421 0.44242 0.13645 Biso 1.000 C data_G231 _cell_length_a 3.78715 _cell_length_b 4.33802 _cell_length_c 4.99102 _cell_angle_alpha 90 _cell_angle_beta 111.676 _cell_angle_gamma 90 _chemical_formula_sum G231 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00563 0.18116 0.84684 Biso 1.000 C C2 1.0000 0.66888 0.32021 0.16484 Biso 1.000 C C3 1.0000 0.05656 0.18032 0.34582 Biso 1.000 C C4 1.0000 0.19884 0.68442 0.64910 Biso 1.000 C C5 1.0000 0.63420 0.67833 0.84032 Biso 1.000 C C6 1.0000 0.63420 0.32167 0.84032 Biso 1.000 C C7 1.0000 0.66888 0.67979 0.16484 Biso 1.000 C C8 1.0000 0.25553 0.31234 0.14967 Biso 1.000 C C9 1.0000 0.05656 0.81968 0.34582 Biso 1.000 C C10 1.0000 0.25553 0.68766 0.14967 Biso 1.000 C C11 1.0000 0.19884 0.31558 0.64910 Biso 1.000 C C12 1.0000 0.00563 0.81884 0.84684 Biso 1.000 C data_G232 _cell_length_a 4.18765 _cell_length_b 7.63505 _cell_length_c 4.57921 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G232 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.18698 0.09609 0.33799 Biso 1.000 C C2 1.0000 0.81302 0.90391 0.66201 Biso 1.000 C C3 1.0000 0.81302 0.09609 0.33799 Biso 1.000 C C4 1.0000 0.81511 0.25000 0.84283 Biso 1.000 C C5 1.0000 0.68698 0.09609 0.66201 Biso 1.000 C C6 1.0000 0.31511 0.25000 0.15717 Biso 1.000 C C7 1.0000 0.18489 0.25000 0.84283 Biso 1.000 C C8 1.0000 0.18698 0.90391 0.66201 Biso 1.000 C C9 1.0000 0.68489 0.25000 0.15717 Biso 1.000 C C10 1.0000 0.31302 0.09609 0.66201 Biso 1.000 C C11 1.0000 0.31302 0.90391 0.33799 Biso 1.000 C C12 1.0000 0.68698 0.90391 0.33799 Biso 1.000 C C13 1.0000 0.68698 0.59609 0.33799 Biso 1.000 C C14 1.0000 0.31302 0.40391 0.66201 Biso 1.000 C C15 1.0000 0.31302 0.59609 0.33799 Biso 1.000 C C16 1.0000 0.31511 0.75000 0.84283 Biso 1.000 C C17 1.0000 0.18698 0.59609 0.66201 Biso 1.000 C C18 1.0000 0.81511 0.75000 0.15717 Biso 1.000 C C19 1.0000 0.68489 0.75000 0.84283 Biso 1.000 C C20 1.0000 0.68698 0.40391 0.66201 Biso 1.000 C C21 1.0000 0.18489 0.75000 0.15717 Biso 1.000 C C22 1.0000 0.81302 0.59609 0.66201 Biso 1.000 C C23 1.0000 0.81302 0.40391 0.33799 Biso 1.000 C C24 1.0000 0.18698 0.40391 0.33799 Biso 1.000 C data_G234 _cell_length_a 4.50546 _cell_length_b 10.173 _cell_length_c 4.18545 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G234 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.83830 0.68846 0.68612 Biso 1.000 C C2 1.0000 0.66312 0.42776 0.31335 Biso 1.000 C C3 1.0000 0.33830 0.81154 0.68612 Biso 1.000 C C4 1.0000 0.33830 0.81154 0.31388 Biso 1.000 C C5 1.0000 0.66170 0.81154 0.18612 Biso 1.000 C C6 1.0000 0.33688 0.42776 0.18665 Biso 1.000 C C7 1.0000 0.33688 0.57224 0.31335 Biso 1.000 C C8 1.0000 0.66170 0.81154 0.81388 Biso 1.000 C C9 1.0000 0.16170 0.68846 0.18612 Biso 1.000 C C10 1.0000 0.16170 0.68846 0.81388 Biso 1.000 C C11 1.0000 0.33688 0.57224 0.68665 Biso 1.000 C C12 1.0000 0.83830 0.68846 0.31388 Biso 1.000 C C13 1.0000 0.33688 0.42776 0.81335 Biso 1.000 C C14 1.0000 0.66312 0.57224 0.18665 Biso 1.000 C C15 1.0000 0.66312 0.42776 0.68665 Biso 1.000 C C16 1.0000 0.66312 0.57224 0.81335 Biso 1.000 C C17 1.0000 0.33830 0.18846 0.18612 Biso 1.000 C C18 1.0000 0.16312 0.92776 0.81335 Biso 1.000 C C19 1.0000 0.83830 0.31154 0.18612 Biso 1.000 C C20 1.0000 0.83830 0.31154 0.81388 Biso 1.000 C C21 1.0000 0.16170 0.31154 0.68612 Biso 1.000 C C22 1.0000 0.83688 0.92776 0.68665 Biso 1.000 C C23 1.0000 0.83688 0.07224 0.81335 Biso 1.000 C C24 1.0000 0.16170 0.31154 0.31388 Biso 1.000 C C25 1.0000 0.66170 0.18846 0.68612 Biso 1.000 C C26 1.0000 0.66170 0.18846 0.31388 Biso 1.000 C C27 1.0000 0.83688 0.07224 0.18665 Biso 1.000 C C28 1.0000 0.33830 0.18846 0.81388 Biso 1.000 C C29 1.0000 0.83688 0.92776 0.31335 Biso 1.000 C C30 1.0000 0.16312 0.07224 0.68665 Biso 1.000 C C31 1.0000 0.16312 0.92776 0.18665 Biso 1.000 C C32 1.0000 0.16312 0.07224 0.31335 Biso 1.000 C data_G237 _cell_length_a 2.52178 _cell_length_b 6.46035 _cell_length_c 3.69489 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G237 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.75000 0.80505 0.61996 Biso 1.000 C C2 1.0000 0.25000 0.80505 0.38004 Biso 1.000 C C3 1.0000 0.75000 0.37570 0.88141 Biso 1.000 C C4 1.0000 0.25000 0.19495 0.38004 Biso 1.000 C C5 1.0000 0.75000 0.00000 0.87522 Biso 1.000 C C6 1.0000 0.25000 0.62430 0.11859 Biso 1.000 C C7 1.0000 0.25000 0.00000 0.12478 Biso 1.000 C C8 1.0000 0.25000 0.37570 0.11859 Biso 1.000 C C9 1.0000 0.75000 0.62430 0.88141 Biso 1.000 C C10 1.0000 0.75000 0.19495 0.61996 Biso 1.000 C data_G238 _cell_length_a 6.69472 _cell_length_b 8.66937 _cell_length_c 2.53509 _cell_angle_alpha 90 _cell_angle_beta 100.288 _cell_angle_gamma 90 _chemical_formula_sum G238 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.26902 0.66074 0.94815 Biso 1.000 C C2 1.0000 0.93573 0.58908 0.21349 Biso 1.000 C C3 1.0000 0.06427 0.58908 0.78651 Biso 1.000 C C4 1.0000 0.88015 0.90491 0.48249 Biso 1.000 C C5 1.0000 0.11985 0.90491 0.51751 Biso 1.000 C C6 1.0000 0.06427 0.41092 0.78651 Biso 1.000 C C7 1.0000 0.93573 0.41092 0.21349 Biso 1.000 C C8 1.0000 0.73098 0.66074 0.05185 Biso 1.000 C C9 1.0000 0.23098 0.83926 0.05185 Biso 1.000 C C10 1.0000 0.38015 0.59509 0.48249 Biso 1.000 C C11 1.0000 0.26902 0.33926 0.94815 Biso 1.000 C C12 1.0000 0.11985 0.09509 0.51751 Biso 1.000 C C13 1.0000 0.76902 0.16074 0.94815 Biso 1.000 C C14 1.0000 0.43573 0.08908 0.21349 Biso 1.000 C C15 1.0000 0.56427 0.08908 0.78651 Biso 1.000 C C16 1.0000 0.38015 0.40491 0.48249 Biso 1.000 C C17 1.0000 0.61985 0.40491 0.51751 Biso 1.000 C C18 1.0000 0.56427 0.91092 0.78651 Biso 1.000 C C19 1.0000 0.43573 0.91092 0.21349 Biso 1.000 C C20 1.0000 0.23098 0.16074 0.05185 Biso 1.000 C C21 1.0000 0.73098 0.33926 0.05185 Biso 1.000 C C22 1.0000 0.88015 0.09509 0.48249 Biso 1.000 C C23 1.0000 0.76902 0.83926 0.94815 Biso 1.000 C C24 1.0000 0.61985 0.59509 0.51751 Biso 1.000 C data_G241 _cell_length_a 3.55451 _cell_length_b 16.0787 _cell_length_c 3.41654 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _chemical_formula_sum G241 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.00000 0.44733 0.75000 Biso 1.000 C C2 1.0000 0.00000 0.06132 0.75000 Biso 1.000 C C3 1.0000 0.84721 0.30147 0.58342 Biso 1.000 C C4 1.0000 0.22482 0.00000 0.00000 Biso 1.000 C C5 1.0000 0.16053 0.39116 0.07331 Biso 1.000 C C6 1.0000 0.50000 0.25578 0.75000 Biso 1.000 C C7 1.0000 0.33947 0.10884 0.57331 Biso 1.000 C C8 1.0000 0.50000 0.05267 0.25000 Biso 1.000 C C9 1.0000 0.77518 0.00000 0.50000 Biso 1.000 C C10 1.0000 0.83947 0.39116 0.42669 Biso 1.000 C C11 1.0000 0.65279 0.19853 0.08342 Biso 1.000 C C12 1.0000 0.34721 0.19853 0.41658 Biso 1.000 C C13 1.0000 0.00000 0.24422 0.25000 Biso 1.000 C C14 1.0000 0.66054 0.10884 0.92669 Biso 1.000 C C15 1.0000 0.15280 0.30147 0.91658 Biso 1.000 C C16 1.0000 0.50000 0.43868 0.25000 Biso 1.000 C C17 1.0000 0.50000 0.94733 0.75000 Biso 1.000 C C18 1.0000 0.50000 0.56132 0.75000 Biso 1.000 C C19 1.0000 0.34721 0.80147 0.58342 Biso 1.000 C C20 1.0000 0.72482 0.50000 -0.00000 Biso 1.000 C C21 1.0000 0.66054 0.89116 0.07331 Biso 1.000 C C22 1.0000 0.00000 0.75578 0.75000 Biso 1.000 C C23 1.0000 0.83947 0.60884 0.57331 Biso 1.000 C C24 1.0000 0.00000 0.55267 0.25000 Biso 1.000 C C25 1.0000 0.27518 0.50000 0.50000 Biso 1.000 C C26 1.0000 0.33947 0.89116 0.42669 Biso 1.000 C C27 1.0000 0.15280 0.69853 0.08342 Biso 1.000 C C28 1.0000 0.84721 0.69853 0.41658 Biso 1.000 C C29 1.0000 0.50000 0.74422 0.25000 Biso 1.000 C C30 1.0000 0.16053 0.60884 0.92669 Biso 1.000 C C31 1.0000 0.65279 0.80147 0.91658 Biso 1.000 C C32 1.0000 0.00000 0.93868 0.25000 Biso 1.000 C data_G244 _cell_length_a 4.03638 _cell_length_b 4.11118 _cell_length_c 4.72617 _cell_angle_alpha 80.6324 _cell_angle_beta 73.7491 _cell_angle_gamma 88.019 _chemical_formula_sum G244 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.67814 0.70990 0.92565 Biso 1.000 C C2 1.0000 0.35870 0.19696 0.39911 Biso 1.000 C C3 1.0000 0.03108 0.83868 0.94511 Biso 1.000 C C4 1.0000 0.18383 0.55343 0.44934 Biso 1.000 C C5 1.0000 0.27833 0.64808 0.11251 Biso 1.000 C C6 1.0000 0.73541 0.15737 0.39094 Biso 1.000 C C7 1.0000 0.96892 0.16132 0.05489 Biso 1.000 C C8 1.0000 0.64130 0.80304 0.60089 Biso 1.000 C C9 1.0000 0.26459 0.84263 0.60906 Biso 1.000 C C10 1.0000 0.32186 0.29010 0.07435 Biso 1.000 C C11 1.0000 0.72167 0.35192 0.88749 Biso 1.000 C C12 1.0000 0.81617 0.44657 0.55066 Biso 1.000 C data_G245 _cell_length_a 3.99276 _cell_length_b 4.22188 _cell_length_c 4.43351 _cell_angle_alpha 93.6626 _cell_angle_beta 102.458 _cell_angle_gamma 94.9353 _chemical_formula_sum G245 _symmetry_space_group_name_H-M "P 1" _symmetry_int_tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol C1 1.0000 0.23493 0.13998 0.45161 Biso 1.000 C C2 1.0000 0.80117 0.48849 0.95303 Biso 1.000 C C3 1.0000 0.69307 0.84957 0.90542 Biso 1.000 C C4 1.0000 0.83587 0.18828 0.44365 Biso 1.000 C C5 1.0000 0.76507 0.86002 0.54839 Biso 1.000 C C6 1.0000 0.42198 0.63522 0.41199 Biso 1.000 C C7 1.0000 0.30693 0.15043 0.09458 Biso 1.000 C C8 1.0000 0.19883 0.51151 0.04697 Biso 1.000 C C9 1.0000 0.31190 0.80939 0.88845 Biso 1.000 C C10 1.0000 0.68810 0.19061 0.11155 Biso 1.000 C C11 1.0000 0.16413 0.81172 0.55635 Biso 1.000 C C12 1.0000 0.57802 0.36478 0.58801 Biso 1.000 C