# generated using pymatgen data_Cu4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39621000 _cell_length_b 6.39621000 _cell_length_c 6.39621000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4As _chemical_formula_sum 'Cu16 As4' _cell_volume 261.67856054 _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 Cu Cu0 1 0.81005400 0.31005400 0.18994600 1.0 Cu Cu1 1 0.31005400 0.18994600 0.81005400 1.0 Cu Cu2 1 0.18994600 0.81005400 0.31005400 1.0 Cu Cu3 1 0.68994600 0.68994600 0.68994600 1.0 Cu Cu4 1 0.04378500 0.87994900 0.70319800 1.0 Cu Cu5 1 0.29680200 0.54378500 0.62005100 1.0 Cu Cu6 1 0.37994900 0.79680200 0.95621500 1.0 Cu Cu7 1 0.54378500 0.62005100 0.29680200 1.0 Cu Cu8 1 0.79680200 0.95621500 0.37994900 1.0 Cu Cu9 1 0.87994900 0.70319800 0.04378500 1.0 Cu Cu10 1 0.95621500 0.37994900 0.79680200 1.0 Cu Cu11 1 0.70319800 0.04378500 0.87994900 1.0 Cu Cu12 1 0.62005100 0.29680200 0.54378500 1.0 Cu Cu13 1 0.45621500 0.12005100 0.20319800 1.0 Cu Cu14 1 0.20319800 0.45621500 0.12005100 1.0 Cu Cu15 1 0.12005100 0.20319800 0.45621500 1.0 As As16 1 0.43988000 0.93988000 0.56012000 1.0 As As17 1 0.93988000 0.56012000 0.43988000 1.0 As As18 1 0.56012000 0.43988000 0.93988000 1.0 As As19 1 0.06012000 0.06012000 0.06012000 1.0