# generated using pymatgen data_Nb3Fe3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98800994 _cell_length_b 7.98800994 _cell_length_c 7.98800994 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Fe3N _chemical_formula_sum 'Nb12 Fe12 N4' _cell_volume 360.41328656 _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 Nb Nb0 1 0.80102400 0.80102400 0.19897600 1.0 Nb Nb1 1 0.19897600 0.19897600 0.80102400 1.0 Nb Nb2 1 0.80102400 0.19897600 0.80102400 1.0 Nb Nb3 1 0.19897600 0.80102400 0.19897600 1.0 Nb Nb4 1 0.19897600 0.80102400 0.80102400 1.0 Nb Nb5 1 0.80102400 0.19897600 0.19897600 1.0 Nb Nb6 1 0.44897600 0.44897600 0.05102400 1.0 Nb Nb7 1 0.05102400 0.05102400 0.44897600 1.0 Nb Nb8 1 0.44897600 0.05102400 0.44897600 1.0 Nb Nb9 1 0.05102400 0.44897600 0.05102400 1.0 Nb Nb10 1 0.05102400 0.44897600 0.44897600 1.0 Nb Nb11 1 0.44897600 0.05102400 0.05102400 1.0 Fe Fe12 1 0.12500000 0.62500000 0.62500000 1.0 Fe Fe13 1 0.62500000 0.12500000 0.62500000 1.0 Fe Fe14 1 0.62500000 0.62500000 0.12500000 1.0 Fe Fe15 1 0.62500000 0.62500000 0.62500000 1.0 Fe Fe16 1 0.72586500 0.42471200 0.42471200 1.0 Fe Fe17 1 0.42471200 0.72586500 0.42471200 1.0 Fe Fe18 1 0.42471200 0.42471200 0.72586500 1.0 Fe Fe19 1 0.42471200 0.42471200 0.42471200 1.0 Fe Fe20 1 0.52413500 0.82528800 0.82528800 1.0 Fe Fe21 1 0.82528800 0.52413500 0.82528800 1.0 Fe Fe22 1 0.82528800 0.82528800 0.52413500 1.0 Fe Fe23 1 0.82528800 0.82528800 0.82528800 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