data_image0 _chemical_formula_structural SIAgCuSI _chemical_formula_sum "S2 I2 Ag1 Cu1" _cell_length_a 6.770782771334404 _cell_length_b 4.342075964877003 _cell_length_c 18.78189541081005 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 95.46095015291401 _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 S S1 1.0 0.9683320664188262 0.9006153612490129 0.4544007685767382 1.0000 I I1 1.0 0.4340251526919655 0.37992928948866495 0.3993207200846898 1.0000 Ag Ag1 1.0 0.759900315838553 0.3966139539661989 0.49025410048340107 1.0000 Cu Cu1 1.0 0.2699354992734504 0.05743005836395026 0.5009987327788109 1.0000 S S2 1.0 0.046882943815800916 0.7065512043079241 0.5512182947223369 1.0000 I I2 1.0 0.5244298617303429 0.1054679017872173 0.600679279872181 1.0000