# generated using pymatgen data_HfZr3Ir2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75890489 _cell_length_b 8.75890551 _cell_length_c 8.75890461 _cell_angle_alpha 60.00000342 _cell_angle_beta 60.00000107 _cell_angle_gamma 59.99999878 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr3Ir2N _chemical_formula_sum 'Hf4 Zr12 Ir8 N4' _cell_volume 475.15407838 _cell_formula_units_Z 4 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 0.12500000 0.62500000 0.62500000 1.0 Hf Hf1 1 0.62500000 0.12500000 0.62500000 1.0 Hf Hf2 1 0.62500000 0.62500000 0.12500000 1.0 Hf Hf3 1 0.62500000 0.62500000 0.62500000 1.0 Zr Zr4 1 0.81489759 0.81489759 0.18510241 1.0 Zr Zr5 1 0.18510241 0.18510241 0.81489759 1.0 Zr Zr6 1 0.81489759 0.18510241 0.81489759 1.0 Zr Zr7 1 0.18510241 0.81489759 0.18510241 1.0 Zr Zr8 1 0.18510241 0.81489759 0.81489759 1.0 Zr Zr9 1 0.81489759 0.18510241 0.18510241 1.0 Zr Zr10 1 0.43510241 0.43510241 0.06489759 1.0 Zr Zr11 1 0.06489759 0.06489759 0.43510241 1.0 Zr Zr12 1 0.43510241 0.06489759 0.43510241 1.0 Zr Zr13 1 0.06489759 0.43510241 0.06489759 1.0 Zr Zr14 1 0.06489759 0.43510241 0.43510241 1.0 Zr Zr15 1 0.43510241 0.06489759 0.06489759 1.0 Ir Ir16 1 0.76172834 0.41275722 0.41275722 1.0 Ir Ir17 1 0.41275722 0.76172834 0.41275722 1.0 Ir Ir18 1 0.41275722 0.41275722 0.76172834 1.0 Ir Ir19 1 0.41275722 0.41275722 0.41275722 1.0 Ir Ir20 1 0.48827166 0.83724278 0.83724278 1.0 Ir Ir21 1 0.83724278 0.48827166 0.83724278 1.0 Ir Ir22 1 0.83724278 0.83724278 0.48827166 1.0 Ir Ir23 1 0.83724278 0.83724278 0.83724278 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0