# generated using pymatgen data_Hf3AlIr2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44044039 _cell_length_b 8.44044121 _cell_length_c 8.44043972 _cell_angle_alpha 60.00000583 _cell_angle_beta 60.00000263 _cell_angle_gamma 59.99999828 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3AlIr2N _chemical_formula_sum 'Hf12 Al4 Ir8 N4' _cell_volume 425.18736741 _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 0.80862272 0.80862272 0.19137728 1.0 Hf Hf1 1 0.19137728 0.19137728 0.80862272 1.0 Hf Hf2 1 0.80862272 0.19137728 0.80862272 1.0 Hf Hf3 1 0.19137728 0.80862272 0.19137728 1.0 Hf Hf4 1 0.19137728 0.80862272 0.80862272 1.0 Hf Hf5 1 0.80862272 0.19137728 0.19137728 1.0 Hf Hf6 1 0.44137728 0.44137728 0.05862272 1.0 Hf Hf7 1 0.05862272 0.05862272 0.44137728 1.0 Hf Hf8 1 0.44137728 0.05862272 0.44137728 1.0 Hf Hf9 1 0.05862272 0.44137728 0.05862272 1.0 Hf Hf10 1 0.05862272 0.44137728 0.44137728 1.0 Hf Hf11 1 0.44137728 0.05862272 0.05862272 1.0 Al Al12 1 0.12500000 0.62500000 0.62500000 1.0 Al Al13 1 0.62500000 0.12500000 0.62500000 1.0 Al Al14 1 0.62500000 0.62500000 0.12500000 1.0 Al Al15 1 0.62500000 0.62500000 0.62500000 1.0 Ir Ir16 1 0.75595190 0.41468303 0.41468303 1.0 Ir Ir17 1 0.41468303 0.75595190 0.41468303 1.0 Ir Ir18 1 0.41468303 0.41468303 0.75595190 1.0 Ir Ir19 1 0.41468303 0.41468303 0.41468303 1.0 Ir Ir20 1 0.49404810 0.83531697 0.83531697 1.0 Ir Ir21 1 0.83531697 0.49404810 0.83531697 1.0 Ir Ir22 1 0.83531697 0.83531697 0.49404810 1.0 Ir Ir23 1 0.83531697 0.83531697 0.83531697 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