data_image0 _chemical_formula_structural SISSeAg2I _chemical_formula_sum "S2 I2 Se1 Ag2" _cell_length_a 5.873730179493088 _cell_length_b 4.454773838937876 _cell_length_c 21.52288795315601 _cell_angle_alpha 90.0 _cell_angle_beta 89.99999999999999 _cell_angle_gamma 78.54205770908364 _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 0.045793775978133194 0.15464799243889754 0.45470675038128144 1.0000 I I1 1.0 0.11596804789700732 0.06492598331610977 0.651533752371914 1.0000 S S2 1.0 0.5600004751915053 0.6426279650332575 0.5257968156796812 1.0000 Se Se1 1.0 0.7918552924106651 0.5563851307486992 0.4381539982238853 1.0000 Ag Ag1 1.0 0.3457666957964495 0.2108508529485491 0.5404891051479089 1.0000 Ag Ag2 1.0 0.8973567158744629 0.6320340851478975 0.5967877283920224 1.0000 I I2 1.0 0.5245819389582508 0.3827850432277656 0.3484662474814509 1.0000