# generated using pymatgen data_Mg6ZrFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86987500 _cell_length_b 6.14159700 _cell_length_c 11.14852800 _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 333.43920228 _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 0.25825600 0.07507400 1.0 Mg Mg1 1 0.00000000 0.74174400 0.07507400 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33291900 1.0 Mg Mg3 1 0.50000000 0.74447100 0.42114100 1.0 Mg Mg4 1 0.50000000 0.25552900 0.42114100 1.0 Mg Mg5 1 0.50000000 0.00000000 0.17251200 1.0 Mg Mg6 1 0.00000000 0.75825600 0.57507400 1.0 Mg Mg7 1 0.00000000 0.24174400 0.57507400 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83291900 1.0 Mg Mg9 1 0.50000000 0.24447100 0.92114100 1.0 Mg Mg10 1 0.50000000 0.75552900 0.92114100 1.0 Mg Mg11 1 0.50000000 0.50000000 0.67251200 1.0 Zr Zr12 1 0.00000000 0.50000000 0.31083500 1.0 Zr Zr13 1 0.00000000 0.00000000 0.81083500 1.0 Fe Fe14 1 0.50000000 0.50000000 0.19130400 1.0 Fe Fe15 1 0.50000000 0.00000000 0.69130400 1.0