# generated using pymatgen data_Hf3Ta7N12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25620674 _cell_length_b 5.25620659 _cell_length_c 10.47395629 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000093 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ta7N12 _chemical_formula_sum 'Hf3 Ta7 N12' _cell_volume 250.60299118 _cell_formula_units_Z 1 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 0.66666700 0.33333300 0.00000000 1.0 Hf Hf1 1 0.33333300 0.66666700 0.00000000 1.0 Hf Hf2 1 0.33333300 0.66666700 0.50000000 1.0 Ta Ta3 1 0.67863117 0.68029027 0.74819825 1.0 Ta Ta4 1 0.31970973 0.99834090 0.74819825 1.0 Ta Ta5 1 0.00165910 0.32136883 0.74819825 1.0 Ta Ta6 1 0.31970973 0.32136883 0.25180175 1.0 Ta Ta7 1 0.67863117 0.99834090 0.25180175 1.0 Ta Ta8 1 0.00165910 0.68029027 0.25180175 1.0 Ta Ta9 1 0.66666700 0.33333300 0.50000000 1.0 N N10 1 0.65874341 0.65264462 0.37838695 1.0 N N11 1 0.34735538 0.00609979 0.37838695 1.0 N N12 1 0.99390021 0.34125659 0.37838695 1.0 N N13 1 0.34735538 0.34125659 0.62161305 1.0 N N14 1 0.65874341 0.00609979 0.62161305 1.0 N N15 1 0.99390021 0.65264462 0.62161305 1.0 N N16 1 0.34550139 0.34526838 0.87313873 1.0 N N17 1 0.65473162 0.00023401 0.87313873 1.0 N N18 1 0.99976599 0.65449861 0.87313873 1.0 N N19 1 0.65473162 0.65449861 0.12686127 1.0 N N20 1 0.34550139 0.00023401 0.12686127 1.0 N N21 1 0.99976599 0.34526838 0.12686127 1.0