# generated using pymatgen data_Mg6TiFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78247600 _cell_length_b 6.08771000 _cell_length_c 10.98028800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6TiFe _chemical_formula_sum 'Mg12 Ti2 Fe2' _cell_volume 319.68369506 _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 0.74062800 0.08319500 1.0 Mg Mg1 1 0.00000000 0.25937200 0.08319500 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33078500 1.0 Mg Mg3 1 0.50000000 0.26039800 0.42066800 1.0 Mg Mg4 1 0.50000000 0.73960200 0.42066800 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16625900 1.0 Mg Mg6 1 0.00000000 0.24062800 0.58319500 1.0 Mg Mg7 1 0.00000000 0.75937200 0.58319500 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83078500 1.0 Mg Mg9 1 0.50000000 0.76039800 0.92066800 1.0 Mg Mg10 1 0.50000000 0.23960200 0.92066800 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66625900 1.0 Ti Ti12 1 0.50000000 0.50000000 0.18969000 1.0 Ti Ti13 1 0.50000000 0.00000000 0.68969000 1.0 Fe Fe14 1 0.00000000 0.50000000 0.30553900 1.0 Fe Fe15 1 0.00000000 0.00000000 0.80553900 1.0