# generated using pymatgen data_Cu31PdN8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94324000 _cell_length_b 7.70940500 _cell_length_c 15.20210100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu31PdN8 _chemical_formula_sum 'Cu31 Pd1 N8' _cell_volume 462.14438989 _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 0.50000000 0.25048900 0.12557000 1.0 Cu Cu1 1 0.50000000 0.24998800 0.62505900 1.0 Cu Cu2 1 0.50000000 0.75001200 0.37494100 1.0 Cu Cu3 1 0.50000000 0.74951100 0.87443000 1.0 Cu Cu4 1 0.50000000 0.74951100 0.12557000 1.0 Cu Cu5 1 0.50000000 0.75001200 0.62505900 1.0 Cu Cu6 1 0.50000000 0.24998800 0.37494100 1.0 Cu Cu7 1 0.50000000 0.25048900 0.87443000 1.0 Cu Cu8 1 0.00000000 0.50000000 0.12502600 1.0 Cu Cu9 1 0.00000000 0.50000000 0.62493600 1.0 Cu Cu10 1 0.00000000 0.50000000 0.37506400 1.0 Cu Cu11 1 0.00000000 0.50000000 0.87497400 1.0 Cu Cu12 1 0.00000000 0.74999800 0.24980100 1.0 Cu Cu13 1 0.00000000 0.74999800 0.75019900 1.0 Cu Cu14 1 0.00000000 0.25000200 0.24980100 1.0 Cu Cu15 1 0.00000000 0.25000200 0.75019900 1.0 Cu Cu16 1 0.00000000 0.00000000 0.12575900 1.0 Cu Cu17 1 0.00000000 0.00000000 0.62485100 1.0 Cu Cu18 1 0.00000000 0.00000000 0.37514900 1.0 Cu Cu19 1 0.00000000 0.00000000 0.87424100 1.0 Cu Cu20 1 0.00000000 0.74897100 0.00000000 1.0 Cu Cu21 1 0.00000000 0.75008100 0.50000000 1.0 Cu Cu22 1 0.00000000 0.25102900 0.00000000 1.0 Cu Cu23 1 0.00000000 0.24991900 0.50000000 1.0 Cu Cu24 1 0.50000000 0.50000000 0.24970700 1.0 Cu Cu25 1 0.50000000 0.50000000 0.75029300 1.0 Cu Cu26 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu27 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu28 1 0.50000000 0.00000000 0.25042900 1.0 Cu Cu29 1 0.50000000 0.00000000 0.74957100 1.0 Cu Cu30 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd31 1 0.50000000 0.00000000 0.00000000 1.0 N N32 1 0.00000000 0.00000000 0.00000000 1.0 N N33 1 0.00000000 0.00000000 0.50000000 1.0 N N34 1 0.00000000 0.50000000 0.00000000 1.0 N N35 1 0.00000000 0.50000000 0.50000000 1.0 N N36 1 0.00000000 0.00000000 0.25038100 1.0 N N37 1 0.00000000 0.00000000 0.74961900 1.0 N N38 1 0.00000000 0.50000000 0.25012800 1.0 N N39 1 0.00000000 0.50000000 0.74987200 1.0