# generated using pymatgen data_Mg6TiFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81383200 _cell_length_b 5.72350300 _cell_length_c 10.81177300 _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 297.88577393 _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 0.25082200 0.42383600 1.0 Mg Mg1 1 0.50000000 0.74917800 0.42383600 1.0 Mg Mg2 1 0.00000000 0.75478100 0.08483400 1.0 Mg Mg3 1 0.00000000 0.24521900 0.08483400 1.0 Mg Mg4 1 0.00000000 0.00000000 0.31243200 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32474300 1.0 Mg Mg6 1 0.50000000 0.75082200 0.92383600 1.0 Mg Mg7 1 0.50000000 0.24917800 0.92383600 1.0 Mg Mg8 1 0.00000000 0.25478100 0.58483400 1.0 Mg Mg9 1 0.00000000 0.74521900 0.58483400 1.0 Mg Mg10 1 0.00000000 0.50000000 0.81243200 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82474300 1.0 Ti Ti12 1 0.50000000 0.50000000 0.17469600 1.0 Ti Ti13 1 0.50000000 0.00000000 0.67469600 1.0 Fe Fe14 1 0.50000000 0.00000000 0.17078500 1.0 Fe Fe15 1 0.50000000 0.50000000 0.67078500 1.0