# generated using pymatgen data_Hf12Cu5Ir7N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37572246 _cell_length_b 8.35731544 _cell_length_c 8.37572125 _cell_angle_alpha 59.92711199 _cell_angle_beta 59.99999704 _cell_angle_gamma 59.92711074 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf12Cu5Ir7N4 _chemical_formula_sum 'Hf12 Cu5 Ir7 N4' _cell_volume 414.11115866 _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 Hf Hf0 1 0.80609414 0.18906632 0.19874440 1.0 Hf Hf1 1 0.19393088 0.80664353 0.19393088 1.0 Hf Hf2 1 0.80549470 0.80664353 0.19393088 1.0 Hf Hf3 1 0.19393088 0.80664353 0.80549470 1.0 Hf Hf4 1 0.80609414 0.18906632 0.80609414 1.0 Hf Hf5 1 0.19874440 0.18906632 0.80609414 1.0 Hf Hf6 1 0.44264058 0.05760687 0.05711197 1.0 Hf Hf7 1 0.05794546 0.44429481 0.05794546 1.0 Hf Hf8 1 0.43981526 0.44429481 0.05794546 1.0 Hf Hf9 1 0.05794546 0.44429481 0.43981526 1.0 Hf Hf10 1 0.44264058 0.05760687 0.44264058 1.0 Hf Hf11 1 0.05711197 0.05760687 0.44264058 1.0 Cu Cu12 1 0.83222465 0.50332705 0.83222465 1.0 Cu Cu13 1 0.63150679 0.61682639 0.12016004 1.0 Cu Cu14 1 0.63150679 0.61682639 0.63150679 1.0 Cu Cu15 1 0.12016004 0.61682639 0.63150679 1.0 Cu Cu16 1 0.62436896 0.12689312 0.62436896 1.0 Ir Ir17 1 0.41404220 0.41631133 0.75560326 1.0 Ir Ir18 1 0.41404220 0.41631133 0.41404220 1.0 Ir Ir19 1 0.75560326 0.41631133 0.41404220 1.0 Ir Ir20 1 0.41486419 0.75540544 0.41486419 1.0 Ir Ir21 1 0.83611311 0.83626522 0.49150956 1.0 Ir Ir22 1 0.83611311 0.83626522 0.83611311 1.0 Ir Ir23 1 0.49150956 0.83626522 0.83611311 1.0 N N24 1 0.12319779 0.12902605 0.62457837 1.0 N N25 1 0.12319779 0.12902605 0.12319779 1.0 N N26 1 0.62457837 0.12902605 0.12319779 1.0 N N27 1 0.12458173 0.62625480 0.12458173 1.0