data_image0 _chemical_formula_structural Ag4Bi4S12 _chemical_formula_sum "Ag4 Bi4 S12" _cell_length_a 7.284344000000138 _cell_length_b 8.433465000000059 _cell_length_c 7.460852000000268 _cell_angle_alpha 90.00000000000182 _cell_angle_beta 89.9999767753494 _cell_angle_gamma 90.00001465946583 _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 Ag Ag1 1.0 0.5435905202856346 0.2500040663701717 0.9525522629867849 1.0000 Ag Ag2 1.0 0.04358651308736293 0.25000400708208464 0.547457576750415 1.0000 Ag Ag3 1.0 0.4564170301529045 0.7500002023387813 0.04745403656083358 1.0000 Ag Ag4 1.0 0.9564073092790258 0.7500002616252405 0.4525487227990436 1.0000 Bi Bi1 1.0 0.500003706580464 5.928805142138657e-08 0.4999964481263391 1.0000 Bi Bi2 1.0 6.863983171377577e-08 0.4999961463052338 0.9999999999999908 1.0000 Bi Bi3 1.0 0.5000037752202957 0.49999620559328517 0.4999964481263299 1.0000 Bi Bi4 1.0 0.0 0.0 0.0 1.0000 S S1 1.0 0.8193462218115901 0.37743689211329173 0.32133048352303173 1.0000 S S2 1.0 0.31934238213182015 0.12255938921219 0.17866587899848674 1.0000 S S3 1.0 0.18066136361670843 0.8774448202086998 0.6786758160245823 1.0000 S S4 1.0 0.6806651333190119 0.6225555783613418 0.8213270172541777 1.0000 S S5 1.0 0.18066132862532128 0.6225555190732788 0.6786758160245869 1.0000 S S6 1.0 0.680665168310399 0.8774448794967629 0.821327017254173 1.0000 S S7 1.0 0.8193461868218307 0.12255944850025308 0.32133048352303645 1.0000 S S8 1.0 0.3193424171215795 0.37743683282522866 0.17866587899848202 1.0000 S S9 1.0 0.8427112449102967 0.2500041018384786 0.8247046258642785 1.0000 S S10 1.0 0.3427074420713402 0.2500040425504157 0.6752981639754491 1.0000 S S11 1.0 0.15728257745609206 0.7500001668688466 0.17530167368518 1.0000 S S12 1.0 0.6572863802950486 0.7500002261569094 0.32470813557400946 1.0000