# generated using pymatgen data_Mg14NbFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26239862 _cell_length_b 6.26239813 _cell_length_c 9.84202819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000258 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14NbFe _chemical_formula_sum 'Mg14 Nb1 Fe1' _cell_volume 334.26938916 _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 Mg Mg0 1 0.16493178 0.83246539 0.12500000 1.0 Mg Mg1 1 0.17412350 0.83706125 0.62500000 1.0 Mg Mg2 1 0.66753461 0.33506822 0.12500000 1.0 Mg Mg3 1 0.66293875 0.32587650 0.62500000 1.0 Mg Mg4 1 0.66753461 0.83246539 0.12500000 1.0 Mg Mg5 1 0.66293875 0.83706125 0.62500000 1.0 Mg Mg6 1 0.32382365 0.17617635 0.36722199 1.0 Mg Mg7 1 0.32382365 0.17617635 0.88277801 1.0 Mg Mg8 1 0.32382365 0.64764830 0.36722199 1.0 Mg Mg9 1 0.32382365 0.64764830 0.88277801 1.0 Mg Mg10 1 0.85235170 0.17617635 0.36722199 1.0 Mg Mg11 1 0.85235170 0.17617635 0.88277801 1.0 Mg Mg12 1 0.83333300 0.66666700 0.38075879 1.0 Mg Mg13 1 0.83333300 0.66666700 0.86924121 1.0 Nb Nb14 1 0.16666700 0.33333300 0.62500000 1.0 Fe Fe15 1 0.16666700 0.33333300 0.12500000 1.0