# generated using pymatgen data_Cu3SbS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25681026 _cell_length_b 6.52661059 _cell_length_c 7.56252475 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3SbS4 _chemical_formula_sum 'Cu6 Sb2 S8' _cell_volume 308.82147671 _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 Cu Cu0 1 0.50739924 0.32852063 0.25221650 1.0 Cu Cu1 1 0.00739924 0.67147937 0.75221750 1.0 Cu Cu2 1 0.00739924 0.67147937 0.24778350 1.0 Cu Cu3 1 0.50415564 0.83351444 0.00000000 1.0 Cu Cu4 1 0.50739924 0.32852063 0.74778250 1.0 Cu Cu5 1 0.00415564 0.16648556 0.50000000 1.0 Sb Sb6 1 0.00402214 0.16849821 0.00000000 1.0 Sb Sb7 1 0.50402314 0.83150179 0.50000000 1.0 S S8 1 0.37080675 0.65527629 0.76339680 1.0 S S9 1 0.87080675 0.34472371 0.73660320 1.0 S S10 1 0.89574403 0.83111006 0.50000000 1.0 S S11 1 0.37080675 0.65527629 0.23660320 1.0 S S12 1 0.86856620 0.81872919 0.00000000 1.0 S S13 1 0.87080675 0.34472371 0.26339680 1.0 S S14 1 0.36856620 0.18127081 0.50000000 1.0 S S15 1 0.39574403 0.16888994 0.00000000 1.0