# generated using pymatgen data_Hf7Ta(Ir2N)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69861179 _cell_length_b 8.64380466 _cell_length_c 8.64380319 _cell_angle_alpha 59.52002178 _cell_angle_beta 59.79003426 _cell_angle_gamma 59.79002933 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf7Ta(Ir2N)2 _chemical_formula_sum 'Hf14 Ta2 Ir8 N4' _cell_volume 456.42450716 _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 0.62500000 0.12500000 0.62500000 1.0 Hf Hf1 1 0.62500000 0.62500000 0.12500000 1.0 Hf Hf2 1 0.81563573 0.81536669 0.18479369 1.0 Hf Hf3 1 0.18420290 0.18479369 0.81536669 1.0 Hf Hf4 1 0.81563573 0.18479369 0.81536669 1.0 Hf Hf5 1 0.18420290 0.81536669 0.18479369 1.0 Hf Hf6 1 0.18594238 0.81405762 0.81405762 1.0 Hf Hf7 1 0.81687915 0.18312085 0.18312085 1.0 Hf Hf8 1 0.43436427 0.43463331 0.06520631 1.0 Hf Hf9 1 0.06579710 0.06520631 0.43463331 1.0 Hf Hf10 1 0.43436427 0.06520631 0.43463331 1.0 Hf Hf11 1 0.06579710 0.43463331 0.06520631 1.0 Hf Hf12 1 0.06405762 0.43594238 0.43594238 1.0 Hf Hf13 1 0.43312085 0.06687915 0.06687915 1.0 Ta Ta14 1 0.12500000 0.62500000 0.62500000 1.0 Ta Ta15 1 0.62500000 0.62500000 0.62500000 1.0 Ir Ir16 1 0.77088883 0.41341253 0.41341253 1.0 Ir Ir17 1 0.40977748 0.76200652 0.41843952 1.0 Ir Ir18 1 0.40977748 0.41843952 0.76200652 1.0 Ir Ir19 1 0.40228711 0.41341253 0.41341253 1.0 Ir Ir20 1 0.47911117 0.83658747 0.83658747 1.0 Ir Ir21 1 0.84022252 0.48799348 0.83156048 1.0 Ir Ir22 1 0.84022252 0.83156048 0.48799348 1.0 Ir Ir23 1 0.84771289 0.83658747 0.83658747 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