# generated using pymatgen data_Hf3TaFe2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37258257 _cell_length_b 8.37258181 _cell_length_c 8.37258281 _cell_angle_alpha 59.99999993 _cell_angle_beta 60.00000292 _cell_angle_gamma 60.00000120 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3TaFe2N _chemical_formula_sum 'Hf12 Ta4 Fe8 N4' _cell_volume 415.01453441 _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 0.81203448 0.81203448 0.18796552 1.0 Hf Hf1 1 0.18796552 0.18796552 0.81203448 1.0 Hf Hf2 1 0.81203448 0.18796552 0.81203448 1.0 Hf Hf3 1 0.18796552 0.81203448 0.18796552 1.0 Hf Hf4 1 0.18796552 0.81203448 0.81203448 1.0 Hf Hf5 1 0.81203448 0.18796552 0.18796552 1.0 Hf Hf6 1 0.43796552 0.43796552 0.06203448 1.0 Hf Hf7 1 0.06203448 0.06203448 0.43796552 1.0 Hf Hf8 1 0.43796552 0.06203448 0.43796552 1.0 Hf Hf9 1 0.06203448 0.43796552 0.06203448 1.0 Hf Hf10 1 0.06203448 0.43796552 0.43796552 1.0 Hf Hf11 1 0.43796552 0.06203448 0.06203448 1.0 Ta Ta12 1 0.12500000 0.62500000 0.62500000 1.0 Ta Ta13 1 0.62500000 0.12500000 0.62500000 1.0 Ta Ta14 1 0.62500000 0.62500000 0.12500000 1.0 Ta Ta15 1 0.62500000 0.62500000 0.62500000 1.0 Fe Fe16 1 0.74521257 0.41826281 0.41826281 1.0 Fe Fe17 1 0.41826281 0.74521257 0.41826281 1.0 Fe Fe18 1 0.41826281 0.41826281 0.74521257 1.0 Fe Fe19 1 0.41826281 0.41826281 0.41826281 1.0 Fe Fe20 1 0.50478743 0.83173719 0.83173719 1.0 Fe Fe21 1 0.83173719 0.50478743 0.83173719 1.0 Fe Fe22 1 0.83173719 0.83173719 0.50478743 1.0 Fe Fe23 1 0.83173719 0.83173719 0.83173719 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