data_image0 _chemical_formula_structural P16S12 _chemical_formula_sum "P16 S12" _cell_length_a 11.255856 _cell_length_b 10.138548 _cell_length_c 6.641814 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _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 P P1 1.0 0.5753405161 0.2500002959 0.1042471228 1.0000 P P2 1.0 0.6687834315 0.7499999014 0.1734887487 1.0000 P P3 1.0 0.9295632425 0.1385573161 0.2370602369 1.0000 P P4 1.0 0.9295632425 0.3614422894 0.2370602369 1.0000 P P5 1.0 0.4295639532 0.1385573161 0.2629402148 1.0000 P P6 1.0 0.4295639532 0.3614422894 0.2629402148 1.0000 P P7 1.0 0.1687841422 0.7499999014 0.3265101974 1.0000 P P8 1.0 0.0753403384 0.2500002959 0.3957533288 1.0000 P P9 1.0 0.924660017 0.7499999014 0.6042460689 1.0000 P P10 1.0 0.8312171016 0.2500002959 0.6734892004 1.0000 P P11 1.0 0.5704364022 0.6385579079 0.7370606885 1.0000 P P12 1.0 0.5704364022 0.8614428811999999 0.7370606885 1.0000 P P13 1.0 0.0704362245 0.6385579079 0.7629391609 1.0000 P P14 1.0 0.0704362245 0.8614428811999999 0.7629391609 1.0000 P P15 1.0 0.33121603550000006 0.2500002959 0.8265106489999999 1.0000 P P16 1.0 0.42465895090000005 0.7499999014 0.8957522749 1.0000 S S1 1.0 0.3104153074 0.0906283622 0.0300475141 1.0000 S S2 1.0 0.3104153074 0.4093712433 0.0300475141 1.0000 S S3 1.0 0.48082793530000006 0.7499999014 0.1975770475 1.0000 S S4 1.0 0.9808272245 0.7499999014 0.3024234042 1.0000 S S5 1.0 0.8104145966 0.0906283622 0.46995143189999994 1.0000 S S6 1.0 0.8104145966 0.4093712433 0.46995143189999994 1.0000 S S7 1.0 0.1895857587 0.590628954 0.5300479658 1.0000 S S8 1.0 0.1895857587 0.9093708487999999 0.5300479658 1.0000 S S9 1.0 0.0191722424 0.2500002959 0.6975759934999999 1.0000 S S10 1.0 0.5191715317 0.2500002959 0.8024238559 1.0000 S S11 1.0 0.689585048 0.590628954 0.9699518835999998 1.0000 S S12 1.0 0.689585048 0.9093708487999999 0.9699518835999998 1.0000