# generated using pymatgen data_Ta4Fe2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21737417 _cell_length_b 8.21737417 _cell_length_c 8.21737417 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4Fe2N _chemical_formula_sum 'Ta16 Fe8 N4' _cell_volume 392.35951600 _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 Ta Ta0 1 0.12500000 0.62500000 0.62500000 1.0 Ta Ta1 1 0.62500000 0.12500000 0.62500000 1.0 Ta Ta2 1 0.62500000 0.62500000 0.12500000 1.0 Ta Ta3 1 0.62500000 0.62500000 0.62500000 1.0 Ta Ta4 1 0.81166200 0.81166200 0.18833800 1.0 Ta Ta5 1 0.18833800 0.18833800 0.81166200 1.0 Ta Ta6 1 0.81166200 0.18833800 0.81166200 1.0 Ta Ta7 1 0.18833800 0.81166200 0.18833800 1.0 Ta Ta8 1 0.18833800 0.81166200 0.81166200 1.0 Ta Ta9 1 0.81166200 0.18833800 0.18833800 1.0 Ta Ta10 1 0.43833800 0.43833800 0.06166200 1.0 Ta Ta11 1 0.06166200 0.06166200 0.43833800 1.0 Ta Ta12 1 0.43833800 0.06166200 0.43833800 1.0 Ta Ta13 1 0.06166200 0.43833800 0.06166200 1.0 Ta Ta14 1 0.06166200 0.43833800 0.43833800 1.0 Ta Ta15 1 0.43833800 0.06166200 0.06166200 1.0 Fe Fe16 1 0.76435700 0.41188100 0.41188100 1.0 Fe Fe17 1 0.41188100 0.76435700 0.41188100 1.0 Fe Fe18 1 0.41188100 0.41188100 0.76435700 1.0 Fe Fe19 1 0.41188100 0.41188100 0.41188100 1.0 Fe Fe20 1 0.48564300 0.83811900 0.83811900 1.0 Fe Fe21 1 0.83811900 0.48564300 0.83811900 1.0 Fe Fe22 1 0.83811900 0.83811900 0.48564300 1.0 Fe Fe23 1 0.83811900 0.83811900 0.83811900 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