data_image0 _chemical_formula_structural Pb6I12 _chemical_formula_sum "Pb6 I12" _cell_length_a 12.447308340318482 _cell_length_b 9.151957805501231 _cell_length_c 19.76967967 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 100.50662585768372 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb1 1.0 0.8360327062728831 0.08391718877353667 0.5450995789331601 1.0000 Pb Pb2 1.0 0.8358911212611984 0.5838305086831695 0.5451865538096775 1.0000 Pb Pb3 1.0 0.4999329632364149 0.2496042749159703 0.5000723537510421 1.0000 Pb Pb4 1.0 0.16396467579873905 0.9164149733187602 0.45480413013057264 1.0000 Pb Pb5 1.0 0.49993811772579966 0.749816407115481 0.5001027578374116 1.0000 Pb Pb6 1.0 0.16411012036227154 0.416340090123671 0.4548255119192523 1.0000 I I1 1.0 0.35279603482125904 0.46317565444334596 0.5745053114585608 1.0000 I I2 1.0 0.3526752331941625 0.9631693196801205 0.5744769205859377 1.0000 I I3 1.0 0.9866000969031397 0.6223573716839464 0.4069809547364462 1.0000 I I4 1.0 0.6823841095822755 0.295490160842966 0.6198626763494203 1.0000 I I5 1.0 0.013424520468441397 0.3780623386160612 0.593028278291941 1.0000 I I6 1.0 0.6472530825699055 0.036181996731734854 0.42547865196928275 1.0000 I I7 1.0 0.31765573648290535 0.2046614903233366 0.38012929373256293 1.0000 I I8 1.0 0.9866956757013318 0.12250465113589148 0.40694969495028993 1.0000 I I9 1.0 0.6823707232969454 0.7956046788853168 0.6198717303928505 1.0000 I I10 1.0 0.31766881489094767 0.7046747292291737 0.3801109579493583 1.0000 I I11 1.0 0.6472117892039934 0.5362188611533741 0.4254908589813706 1.0000 I I12 1.0 0.01340441848468935 0.8779852801285132 0.5930219126168943 1.0000