# generated using pymatgen data_Mg6ZrFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93223500 _cell_length_b 5.79417400 _cell_length_c 11.22932600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrFe _chemical_formula_sum 'Mg12 Zr2 Fe2' _cell_volume 320.91423646 _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 0.74877800 0.92621900 1.0 Mg Mg1 1 0.50000000 0.25122200 0.92621900 1.0 Mg Mg2 1 0.00000000 0.24386700 0.58295000 1.0 Mg Mg3 1 0.00000000 0.75613300 0.58295000 1.0 Mg Mg4 1 0.00000000 0.50000000 0.82935400 1.0 Mg Mg5 1 0.00000000 0.00000000 0.80690900 1.0 Mg Mg6 1 0.50000000 0.24877800 0.42621900 1.0 Mg Mg7 1 0.50000000 0.75122200 0.42621900 1.0 Mg Mg8 1 0.00000000 0.74386700 0.08295000 1.0 Mg Mg9 1 0.00000000 0.25613300 0.08295000 1.0 Mg Mg10 1 0.00000000 0.00000000 0.32935400 1.0 Mg Mg11 1 0.00000000 0.50000000 0.30690900 1.0 Zr Zr12 1 0.50000000 0.50000000 0.67772900 1.0 Zr Zr13 1 0.50000000 0.00000000 0.17772900 1.0 Fe Fe14 1 0.50000000 0.00000000 0.66766700 1.0 Fe Fe15 1 0.50000000 0.50000000 0.16766700 1.0