# generated using pymatgen data_Mg6NbFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67273100 _cell_length_b 5.96790700 _cell_length_c 10.87723000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbFe _chemical_formula_sum 'Mg12 Nb2 Fe2' _cell_volume 303.32704820 _cell_formula_units_Z 2 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 0.00000000 0.73987900 0.08037800 1.0 Mg Mg1 1 0.00000000 0.26012100 0.08037800 1.0 Mg Mg2 1 0.00000000 0.00000000 0.32815400 1.0 Mg Mg3 1 0.50000000 0.25981900 0.42348700 1.0 Mg Mg4 1 0.50000000 0.74018100 0.42348700 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16788600 1.0 Mg Mg6 1 0.00000000 0.23987900 0.58037800 1.0 Mg Mg7 1 0.00000000 0.76012100 0.58037800 1.0 Mg Mg8 1 0.00000000 0.50000000 0.82815400 1.0 Mg Mg9 1 0.50000000 0.75981900 0.92348700 1.0 Mg Mg10 1 0.50000000 0.24018100 0.92348700 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66788600 1.0 Nb Nb12 1 0.50000000 0.50000000 0.19271200 1.0 Nb Nb13 1 0.50000000 0.00000000 0.69271200 1.0 Fe Fe14 1 0.00000000 0.50000000 0.30351700 1.0 Fe Fe15 1 0.00000000 0.00000000 0.80351700 1.0