# generated using pymatgen data_Hf3Nb2Ir3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93596531 _cell_length_b 7.93594107 _cell_length_c 5.31247788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00019074 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Nb2Ir3N _chemical_formula_sum 'Hf6 Nb4 Ir6 N2' _cell_volume 289.75112217 _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 0.23133106 0.00000868 0.25000000 1.0 Hf Hf1 1 0.76866894 0.99999132 0.75000000 1.0 Hf Hf2 1 0.00002563 0.23136527 0.25000000 1.0 Hf Hf3 1 0.99997437 0.76863473 0.75000000 1.0 Hf Hf4 1 0.76864181 0.76862535 0.25000000 1.0 Hf Hf5 1 0.23135819 0.23137465 0.75000000 1.0 Nb Nb6 1 0.33332032 0.66659840 0.00000293 1.0 Nb Nb7 1 0.66667968 0.33340160 0.99999707 1.0 Nb Nb8 1 0.66667968 0.33340160 0.50000293 1.0 Nb Nb9 1 0.33332032 0.66659840 0.49999707 1.0 Ir Ir10 1 0.58965782 0.99999524 0.25000000 1.0 Ir Ir11 1 0.41034218 0.00000476 0.75000000 1.0 Ir Ir12 1 0.99998782 0.58963988 0.25000000 1.0 Ir Ir13 1 0.00001218 0.41036012 0.75000000 1.0 Ir Ir14 1 0.41035751 0.41036586 0.25000000 1.0 Ir Ir15 1 0.58964249 0.58963414 0.75000000 1.0 N N16 1 0.00000000 0.00000000 0.00000000 1.0 N N17 1 0.00000000 0.00000000 0.50000000 1.0