# generated using pymatgen data_Cu3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68380108 _cell_length_b 3.68379703 _cell_length_c 25.52371049 _cell_angle_alpha 90.00002485 _cell_angle_beta 89.99996611 _cell_angle_gamma 90.00003142 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3Pd _chemical_formula_sum 'Cu21 Pd7' _cell_volume 346.36633493 _cell_formula_units_Z 7 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 0.50000000 0.00000000 0.14294985 1.0 Cu Cu1 1 0.49999900 0.49999900 0.92867767 1.0 Cu Cu2 1 0.00000200 0.00000000 0.64317118 1.0 Cu Cu3 1 0.50000100 0.49999900 0.78573768 1.0 Cu Cu4 1 0.49999900 0.00000100 0.28561829 1.0 Cu Cu5 1 0.99999900 0.49999900 0.71437635 1.0 Cu Cu6 1 0.50000100 -0.00000000 0.85706122 1.0 Cu Cu7 1 0.50000000 0.50000000 0.07134339 1.0 Cu Cu8 1 0.50000100 0.00000100 0.57157281 1.0 Cu Cu9 1 0.00000100 0.50000000 0.14294885 1.0 Cu Cu10 1 0.00000100 0.49999900 0.42841168 1.0 Cu Cu11 1 0.49999900 0.99999900 0.71437635 1.0 Cu Cu12 1 0.00000000 0.50000000 0.85706222 1.0 Cu Cu13 1 0.00000000 0.50000200 0.57156981 1.0 Cu Cu14 1 0.99999800 0.99999900 0.35682292 1.0 Cu Cu15 1 0.50000000 0.00000000 0.42840968 1.0 Cu Cu16 1 0.50000100 0.50000100 0.21426653 1.0 Cu Cu17 1 0.99999900 0.50000000 0.28561829 1.0 Cu Cu18 1 0.00000100 0.00000100 0.49998738 1.0 Cu Cu19 1 -0.00000000 0.50000000 0.00001074 1.0 Cu Cu20 1 0.49999900 0.99999900 0.00001074 1.0 Pd Pd21 1 0.49999900 0.50000000 0.35680504 1.0 Pd Pd22 1 0.99999900 0.00000100 0.92838962 1.0 Pd Pd23 1 0.50000100 0.50000000 0.64318589 1.0 Pd Pd24 1 0.00000100 0.99999900 0.78549754 1.0 Pd Pd25 1 0.50000000 0.50000100 0.49999374 1.0 Pd Pd26 1 -0.00000000 0.00000000 0.07162223 1.0 Pd Pd27 1 0.00000100 0.00000000 0.21450432 1.0