# generated using pymatgen data_Cr2AgS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91204500 _cell_length_b 6.88565300 _cell_length_c 13.14742400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2AgS4 _chemical_formula_sum 'Cr8 Ag4 S16' _cell_volume 535.20915408 _cell_formula_units_Z 4 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 Cr Cr0 1 0.99257100 0.00000000 0.24539500 1.0 Cr Cr1 1 0.99257100 0.00000000 0.75460500 1.0 Cr Cr2 1 0.00742900 0.50000000 0.25460500 1.0 Cr Cr3 1 0.00742900 0.50000000 0.74539500 1.0 Cr Cr4 1 0.50000000 0.25000000 0.25000000 1.0 Cr Cr5 1 0.50000000 0.75000000 0.75000000 1.0 Cr Cr6 1 0.50000000 0.75000000 0.25000000 1.0 Cr Cr7 1 0.50000000 0.25000000 0.75000000 1.0 Ag Ag8 1 0.35122800 0.00000000 0.00000000 1.0 Ag Ag9 1 0.64877200 0.50000000 0.50000000 1.0 Ag Ag10 1 0.03590400 0.00000000 0.50000000 1.0 Ag Ag11 1 0.96409600 0.50000000 0.00000000 1.0 S S12 1 0.83325900 0.25100700 0.35251000 1.0 S S13 1 0.83325900 0.74899300 0.64749000 1.0 S S14 1 0.16674100 0.75100700 0.14749000 1.0 S S15 1 0.16674100 0.24899300 0.85251000 1.0 S S16 1 0.16674100 0.24899300 0.14749000 1.0 S S17 1 0.16674100 0.75100700 0.85251000 1.0 S S18 1 0.83325900 0.74899300 0.35251000 1.0 S S19 1 0.83325900 0.25100700 0.64749000 1.0 S S20 1 0.65917400 0.00000000 0.14890800 1.0 S S21 1 0.65917400 0.00000000 0.85109200 1.0 S S22 1 0.34082600 0.50000000 0.35109200 1.0 S S23 1 0.34082600 0.50000000 0.64890800 1.0 S S24 1 0.32601200 0.00000000 0.34800200 1.0 S S25 1 0.32601200 0.00000000 0.65199800 1.0 S S26 1 0.67398800 0.50000000 0.15199800 1.0 S S27 1 0.67398800 0.50000000 0.84800200 1.0