# generated using pymatgen data_Cr2Cu(SeS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17207094 _cell_length_b 7.17207094 _cell_length_c 7.17207094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Cu(SeS)2 _chemical_formula_sum 'Cr4 Cu2 Se4 S4' _cell_volume 260.86675309 _cell_formula_units_Z 2 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 0.64598600 0.11800500 0.11800500 1.0 Cr Cr1 1 0.11800500 0.64598600 0.11800500 1.0 Cr Cr2 1 0.11800500 0.11800500 0.64598600 1.0 Cr Cr3 1 0.11800500 0.11800500 0.11800500 1.0 Cu Cu4 1 0.75000000 0.75000000 0.75000000 1.0 Cu Cu5 1 0.50000000 0.50000000 0.50000000 1.0 Se Se6 1 0.90120200 0.36626600 0.36626600 1.0 Se Se7 1 0.36626600 0.90120200 0.36626600 1.0 Se Se8 1 0.36626600 0.36626600 0.90120200 1.0 Se Se9 1 0.36626600 0.36626600 0.36626600 1.0 S S10 1 0.35296700 0.88234400 0.88234400 1.0 S S11 1 0.88234400 0.35296700 0.88234400 1.0 S S12 1 0.88234400 0.88234400 0.35296700 1.0 S S13 1 0.88234400 0.88234400 0.88234400 1.0