# generated using pymatgen data_Cu3As4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.42413728 _cell_length_b 10.42413728 _cell_length_c 10.42413728 _cell_angle_alpha 160.47360323 _cell_angle_beta 131.73694644 _cell_angle_gamma 52.54058731 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3As4 _chemical_formula_sum 'Cu6 As8' _cell_volume 281.67391773 _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 0.27205800 0.43126500 0.84079200 1.0 Cu Cu1 1 0.72794200 0.56873500 0.15920800 1.0 Cu Cu2 1 0.40952700 0.56873500 0.84079200 1.0 Cu Cu3 1 0.59047300 0.43126500 0.15920800 1.0 Cu Cu4 1 0.31894400 0.31894400 0.00000000 1.0 Cu Cu5 1 0.68105600 0.68105600 0.00000000 1.0 As As6 1 0.13210200 0.83857500 0.29352800 1.0 As As7 1 0.86789800 0.16142500 0.70647200 1.0 As As8 1 0.45495300 0.16142500 0.29352800 1.0 As As9 1 0.54504700 0.83857500 0.70647200 1.0 As As10 1 0.21295700 0.00000000 0.21295700 1.0 As As11 1 0.78704300 0.00000000 0.78704300 1.0 As As12 1 0.22841000 0.72841000 0.50000000 1.0 As As13 1 0.77159000 0.27159000 0.50000000 1.0