# generated using pymatgen data_Mg6FeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66481200 _cell_length_b 6.06353400 _cell_length_c 10.34040000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6FeSi _chemical_formula_sum 'Mg12 Fe2 Si2' _cell_volume 292.48075945 _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 0.25819500 0.08880200 1.0 Mg Mg1 1 0.00000000 0.74180500 0.08880200 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83411500 1.0 Mg Mg3 1 0.50000000 0.23593000 0.90989000 1.0 Mg Mg4 1 0.50000000 0.76407000 0.90989000 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66672700 1.0 Mg Mg6 1 0.00000000 0.75819500 0.58880200 1.0 Mg Mg7 1 0.00000000 0.24180500 0.58880200 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33411500 1.0 Mg Mg9 1 0.50000000 0.73593000 0.40989000 1.0 Mg Mg10 1 0.50000000 0.26407000 0.40989000 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16672700 1.0 Fe Fe12 1 0.00000000 0.50000000 0.31731800 1.0 Fe Fe13 1 0.00000000 0.00000000 0.81731800 1.0 Si Si14 1 0.50000000 0.50000000 0.18445500 1.0 Si Si15 1 0.50000000 0.00000000 0.68445500 1.0