# generated using pymatgen data_Hf5Zr3(Ir2N)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71497872 _cell_length_b 8.71497897 _cell_length_c 8.71497910 _cell_angle_alpha 59.99999577 _cell_angle_beta 59.99999482 _cell_angle_gamma 59.99999319 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Zr3(Ir2N)2 _chemical_formula_sum 'Hf10 Zr6 Ir8 N4' _cell_volume 468.04108003 _cell_formula_units_Z 2 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 0.12507876 0.62497341 0.62497341 1.0 Hf Hf1 1 0.62497341 0.12507876 0.62497341 1.0 Hf Hf2 1 0.62497341 0.62497341 0.12507876 1.0 Hf Hf3 1 0.62497341 0.62497341 0.62497341 1.0 Hf Hf4 1 0.81641885 0.81641885 0.18358115 1.0 Hf Hf5 1 0.18358115 0.18358115 0.81641885 1.0 Hf Hf6 1 0.81641885 0.18358115 0.81641885 1.0 Hf Hf7 1 0.18358115 0.81641885 0.18358115 1.0 Hf Hf8 1 0.18358115 0.81641885 0.81641885 1.0 Hf Hf9 1 0.81641885 0.18358115 0.18358115 1.0 Zr Zr10 1 0.43579630 0.43579630 0.06420370 1.0 Zr Zr11 1 0.06420370 0.06420370 0.43579630 1.0 Zr Zr12 1 0.43579630 0.06420370 0.43579630 1.0 Zr Zr13 1 0.06420370 0.43579630 0.06420370 1.0 Zr Zr14 1 0.06420370 0.43579630 0.43579630 1.0 Zr Zr15 1 0.43579630 0.06420370 0.06420370 1.0 Ir Ir16 1 0.76211368 0.41262844 0.41262844 1.0 Ir Ir17 1 0.41262844 0.76211368 0.41262844 1.0 Ir Ir18 1 0.41262844 0.41262844 0.76211368 1.0 Ir Ir19 1 0.41262844 0.41262844 0.41262844 1.0 Ir Ir20 1 0.48575441 0.83808153 0.83808153 1.0 Ir Ir21 1 0.83808153 0.48575441 0.83808153 1.0 Ir Ir22 1 0.83808153 0.83808153 0.48575441 1.0 Ir Ir23 1 0.83808153 0.83808153 0.83808153 1.0 N N24 1 0.63053755 0.12315348 0.12315348 1.0 N N25 1 0.12315348 0.63053755 0.12315348 1.0 N N26 1 0.12315348 0.12315348 0.63053755 1.0 N N27 1 0.12315348 0.12315348 0.12315348 1.0