# generated using pymatgen data_Nb3V2FeN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20577606 _cell_length_b 8.20577626 _cell_length_c 8.20577637 _cell_angle_alpha 60.00000362 _cell_angle_beta 60.00000283 _cell_angle_gamma 59.99999799 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3V2FeN _chemical_formula_sum 'Nb12 V8 Fe4 N4' _cell_volume 390.70055257 _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 0.80881839 0.80881839 0.19118161 1.0 Nb Nb1 1 0.19118161 0.19118161 0.80881839 1.0 Nb Nb2 1 0.80881839 0.19118161 0.80881839 1.0 Nb Nb3 1 0.19118161 0.80881839 0.19118161 1.0 Nb Nb4 1 0.19118161 0.80881839 0.80881839 1.0 Nb Nb5 1 0.80881839 0.19118161 0.19118161 1.0 Nb Nb6 1 0.44137153 0.44137153 0.05862847 1.0 Nb Nb7 1 0.05862847 0.05862847 0.44137153 1.0 Nb Nb8 1 0.44137153 0.05862847 0.44137153 1.0 Nb Nb9 1 0.05862847 0.44137153 0.05862847 1.0 Nb Nb10 1 0.05862847 0.44137153 0.44137153 1.0 Nb Nb11 1 0.44137153 0.05862847 0.05862847 1.0 V V12 1 0.11354714 0.62881695 0.62881695 1.0 V V13 1 0.62881695 0.11354714 0.62881695 1.0 V V14 1 0.62881695 0.62881695 0.11354714 1.0 V V15 1 0.62881695 0.62881695 0.62881695 1.0 V V16 1 0.74137043 0.41954352 0.41954352 1.0 V V17 1 0.41954352 0.74137043 0.41954352 1.0 V V18 1 0.41954352 0.41954352 0.74137043 1.0 V V19 1 0.41954352 0.41954352 0.41954352 1.0 Fe Fe20 1 0.50979104 0.83006932 0.83006932 1.0 Fe Fe21 1 0.83006932 0.50979104 0.83006932 1.0 Fe Fe22 1 0.83006932 0.83006932 0.50979104 1.0 Fe Fe23 1 0.83006932 0.83006932 0.83006932 1.0 N N24 1 0.62175279 0.12608174 0.12608174 1.0 N N25 1 0.12608174 0.62175279 0.12608174 1.0 N N26 1 0.12608174 0.12608174 0.62175279 1.0 N N27 1 0.12608174 0.12608174 0.12608174 1.0