# generated using pymatgen data_Cu23PdN8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53900934 _cell_length_b 8.53900934 _cell_length_c 8.53900934 _cell_angle_alpha 101.85251807 _cell_angle_beta 101.85251807 _cell_angle_gamma 126.10122149 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu23PdN8 _chemical_formula_sum 'Cu23 Pd1 N8' _cell_volume 448.43321609 _cell_formula_units_Z 1 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 0.87507900 0.12492100 0.50000000 1.0 Cu Cu1 1 0.37507900 0.62492100 0.50000000 1.0 Cu Cu2 1 0.62492100 0.37507900 0.50000000 1.0 Cu Cu3 1 0.12492100 0.87507900 0.50000000 1.0 Cu Cu4 1 0.87507900 0.37507900 0.75015800 1.0 Cu Cu5 1 0.37507900 0.87507900 0.75015800 1.0 Cu Cu6 1 0.62492100 0.12492100 0.24984200 1.0 Cu Cu7 1 0.12492100 0.62492100 0.24984200 1.0 Cu Cu8 1 0.12340100 0.37354100 0.00000000 1.0 Cu Cu9 1 0.62645900 0.87659900 0.00000000 1.0 Cu Cu10 1 0.87659900 0.62645900 0.00000000 1.0 Cu Cu11 1 0.37354100 0.12340100 0.00000000 1.0 Cu Cu12 1 0.12340100 0.12340100 0.74986000 1.0 Cu Cu13 1 0.62645900 0.62645900 0.74986000 1.0 Cu Cu14 1 0.87659900 0.87659900 0.25014000 1.0 Cu Cu15 1 0.37354100 0.37354100 0.25014000 1.0 Cu Cu16 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu17 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu18 1 0.24973600 0.24973600 0.49947200 1.0 Cu Cu19 1 0.75026400 0.75026400 0.50052800 1.0 Cu Cu20 1 0.24973600 0.75026400 0.00000000 1.0 Cu Cu21 1 0.75026400 0.24973600 0.00000000 1.0 Cu Cu22 1 0.00000000 0.00000000 0.00000000 1.0 Pd Pd23 1 0.50000000 0.50000000 0.00000000 1.0 N N24 1 0.76334400 0.76334400 0.00000000 1.0 N N25 1 0.23665600 0.23665600 0.00000000 1.0 N N26 1 0.00000000 0.00000000 0.50000000 1.0 N N27 1 0.50000000 0.50000000 0.50000000 1.0 N N28 1 0.00000000 0.50000000 0.00000000 1.0 N N29 1 0.50000000 0.00000000 0.00000000 1.0 N N30 1 0.75000000 0.25000000 0.50000000 1.0 N N31 1 0.25000000 0.75000000 0.50000000 1.0