# generated using pymatgen data_NaMg6Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96862700 _cell_length_b 6.31922600 _cell_length_c 10.70188900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMg6Fe _chemical_formula_sum 'Na2 Mg12 Fe2' _cell_volume 336.01659366 _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 Na Na0 1 0.50000000 0.50000000 0.16598200 1.0 Na Na1 1 0.50000000 0.00000000 0.66598200 1.0 Mg Mg2 1 0.00000000 0.24508100 0.08159700 1.0 Mg Mg3 1 0.00000000 0.75491900 0.08159700 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83670100 1.0 Mg Mg5 1 0.50000000 0.22956700 0.90553100 1.0 Mg Mg6 1 0.50000000 0.77043300 0.90553100 1.0 Mg Mg7 1 0.50000000 0.50000000 0.66418100 1.0 Mg Mg8 1 0.00000000 0.74508100 0.58159700 1.0 Mg Mg9 1 0.00000000 0.25491900 0.58159700 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33670100 1.0 Mg Mg11 1 0.50000000 0.72956700 0.40553100 1.0 Mg Mg12 1 0.50000000 0.27043300 0.40553100 1.0 Mg Mg13 1 0.50000000 0.00000000 0.16418100 1.0 Fe Fe14 1 0.00000000 0.50000000 0.35888000 1.0 Fe Fe15 1 0.00000000 0.00000000 0.85888000 1.0