# generated using pymatgen data_Sb2MoS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 18.69470935 _cell_length_b 18.69470935 _cell_length_c 6.57480173 _cell_angle_alpha 85.39891150 _cell_angle_beta 85.39891150 _cell_angle_gamma 19.90853276 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2MoS _chemical_formula_sum 'Sb16 Mo8 S8' _cell_volume 779.86067834 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '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 Sb Sb0 1 0.98968144 0.98968144 0.79633429 1.0 Sb Sb1 1 0.01031856 0.01031856 0.20366571 1.0 Sb Sb2 1 0.48960518 0.48960518 0.79626138 1.0 Sb Sb3 1 0.51039482 0.51039482 0.20373862 1.0 Sb Sb4 1 0.91392446 0.91392446 0.92224140 1.0 Sb Sb5 1 0.08607554 0.08607554 0.07775860 1.0 Sb Sb6 1 0.41307449 0.91265620 0.92398169 1.0 Sb Sb7 1 0.08734380 0.58692551 0.07601831 1.0 Sb Sb8 1 0.58692551 0.08734380 0.07601831 1.0 Sb Sb9 1 0.91265620 0.41307449 0.92398169 1.0 Sb Sb10 1 0.41389772 0.41389772 0.92215054 1.0 Sb Sb11 1 0.58610228 0.58610228 0.07784946 1.0 Sb Sb12 1 0.51482068 0.96393183 0.79486747 1.0 Sb Sb13 1 0.03606817 0.48517932 0.20513253 1.0 Sb Sb14 1 0.48517932 0.03606817 0.20513253 1.0 Sb Sb15 1 0.96393183 0.51482068 0.79486747 1.0 Mo Mo16 1 0.87787967 0.87787967 0.33024737 1.0 Mo Mo17 1 0.12212033 0.12212033 0.66975263 1.0 Mo Mo18 1 0.37764403 0.87820455 0.33111917 1.0 Mo Mo19 1 0.12179545 0.62235597 0.66888083 1.0 Mo Mo20 1 0.62235597 0.12179545 0.66888083 1.0 Mo Mo21 1 0.87820455 0.37764403 0.33111917 1.0 Mo Mo22 1 0.37792699 0.37792699 0.32963627 1.0 Mo Mo23 1 0.62207301 0.62207301 0.67036373 1.0 S S24 1 0.32851961 0.32851961 0.58762566 1.0 S S25 1 0.67148039 0.67148039 0.41237434 1.0 S S26 1 0.32839373 0.82855054 0.58852671 1.0 S S27 1 0.17144946 0.67160627 0.41147329 1.0 S S28 1 0.67160627 0.17144946 0.41147329 1.0 S S29 1 0.82855054 0.32839373 0.58852671 1.0 S S30 1 0.82844368 0.82844368 0.58756263 1.0 S S31 1 0.17155632 0.17155632 0.41243737 1.0