# generated using pymatgen data_Cu9As4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.99056400 _cell_length_b 8.99056400 _cell_length_c 8.99056400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu9As4 _chemical_formula_sum 'Cu36 As16' _cell_volume 726.70945519 _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 0.32901000 0.67099000 0.67099000 1.0 Cu Cu1 1 0.64359900 0.00000000 0.00000000 1.0 Cu Cu2 1 0.00000000 0.00000000 0.35640100 1.0 Cu Cu3 1 0.00000000 0.00000000 0.64359900 1.0 Cu Cu4 1 0.00000000 0.64359900 0.00000000 1.0 Cu Cu5 1 0.00000000 0.35640100 0.00000000 1.0 Cu Cu6 1 0.85349600 0.50000000 0.50000000 1.0 Cu Cu7 1 0.14650400 0.50000000 0.50000000 1.0 Cu Cu8 1 0.50000000 0.50000000 0.85349600 1.0 Cu Cu9 1 0.50000000 0.50000000 0.14650400 1.0 Cu Cu10 1 0.35640100 0.00000000 0.00000000 1.0 Cu Cu11 1 0.50000000 0.85349600 0.50000000 1.0 Cu Cu12 1 0.32020700 0.32020700 0.02778500 1.0 Cu Cu13 1 0.67979300 0.02778500 0.67979300 1.0 Cu Cu14 1 0.67979300 0.97221500 0.32020700 1.0 Cu Cu15 1 0.97221500 0.67979300 0.32020700 1.0 Cu Cu16 1 0.02778500 0.67979300 0.67979300 1.0 Cu Cu17 1 0.32020700 0.67979300 0.97221500 1.0 Cu Cu18 1 0.67979300 0.32020700 0.97221500 1.0 Cu Cu19 1 0.02778500 0.32020700 0.32020700 1.0 Cu Cu20 1 0.32020700 0.02778500 0.32020700 1.0 Cu Cu21 1 0.97221500 0.32020700 0.67979300 1.0 Cu Cu22 1 0.32020700 0.97221500 0.67979300 1.0 Cu Cu23 1 0.67979300 0.67979300 0.02778500 1.0 Cu Cu24 1 0.67099000 0.67099000 0.32901000 1.0 Cu Cu25 1 0.67099000 0.32901000 0.67099000 1.0 Cu Cu26 1 0.32901000 0.32901000 0.32901000 1.0 Cu Cu27 1 0.83036400 0.16963600 0.16963600 1.0 Cu Cu28 1 0.16963600 0.16963600 0.83036400 1.0 Cu Cu29 1 0.16963600 0.83036400 0.16963600 1.0 Cu Cu30 1 0.83036400 0.83036400 0.83036400 1.0 Cu Cu31 1 0.60209200 0.39790800 0.39790800 1.0 Cu Cu32 1 0.39790800 0.39790800 0.60209200 1.0 Cu Cu33 1 0.39790800 0.60209200 0.39790800 1.0 Cu Cu34 1 0.60209200 0.60209200 0.60209200 1.0 Cu Cu35 1 0.50000000 0.14650400 0.50000000 1.0 As As36 1 0.12736100 0.12736100 0.12736100 1.0 As As37 1 0.87263900 0.12736100 0.87263900 1.0 As As38 1 0.87263900 0.87263900 0.12736100 1.0 As As39 1 0.12736100 0.87263900 0.87263900 1.0 As As40 1 0.80616200 0.46727900 0.19383800 1.0 As As41 1 0.46727900 0.80616200 0.19383800 1.0 As As42 1 0.80616200 0.53272100 0.80616200 1.0 As As43 1 0.53272100 0.80616200 0.80616200 1.0 As As44 1 0.19383800 0.80616200 0.46727900 1.0 As As45 1 0.80616200 0.19383800 0.46727900 1.0 As As46 1 0.53272100 0.19383800 0.19383800 1.0 As As47 1 0.46727900 0.19383800 0.80616200 1.0 As As48 1 0.19383800 0.46727900 0.80616200 1.0 As As49 1 0.19383800 0.53272100 0.19383800 1.0 As As50 1 0.80616200 0.80616200 0.53272100 1.0 As As51 1 0.19383800 0.19383800 0.53272100 1.0