# generated using pymatgen data_Mg6AlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91375200 _cell_length_b 6.01982100 _cell_length_c 10.66261700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6AlFe _chemical_formula_sum 'Mg12 Al2 Fe2' _cell_volume 315.39922434 _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 0.50000000 0.25079100 0.41817500 1.0 Mg Mg1 1 0.50000000 0.74920900 0.41817500 1.0 Mg Mg2 1 0.00000000 0.74285200 0.08601200 1.0 Mg Mg3 1 0.00000000 0.25714800 0.08601200 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32961000 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32417500 1.0 Mg Mg6 1 0.50000000 0.75079100 0.91817500 1.0 Mg Mg7 1 0.50000000 0.24920900 0.91817500 1.0 Mg Mg8 1 0.00000000 0.24285200 0.58601200 1.0 Mg Mg9 1 0.00000000 0.75714800 0.58601200 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82961000 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82417500 1.0 Al Al12 1 0.50000000 0.00000000 0.16885900 1.0 Al Al13 1 0.50000000 0.50000000 0.66885900 1.0 Fe Fe14 1 0.50000000 0.50000000 0.16897900 1.0 Fe Fe15 1 0.50000000 0.00000000 0.66897900 1.0