# generated using pymatgen data_Mg6ZrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04484800 _cell_length_b 5.79384700 _cell_length_c 11.34281100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrW _chemical_formula_sum 'Mg12 Zr2 W2' _cell_volume 331.53990122 _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 0.24976600 0.42504400 1.0 Mg Mg1 1 0.50000000 0.75023400 0.42504400 1.0 Mg Mg2 1 0.00000000 0.74218900 0.08367900 1.0 Mg Mg3 1 0.00000000 0.25781100 0.08367900 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32562700 1.0 Mg Mg5 1 0.00000000 0.50000000 0.31109400 1.0 Mg Mg6 1 0.50000000 0.74976600 0.92504400 1.0 Mg Mg7 1 0.50000000 0.25023400 0.92504400 1.0 Mg Mg8 1 0.00000000 0.24218900 0.58367900 1.0 Mg Mg9 1 0.00000000 0.75781100 0.58367900 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82562700 1.0 Mg Mg11 1 0.00000000 0.00000000 0.81109400 1.0 Zr Zr12 1 0.50000000 0.00000000 0.17437600 1.0 Zr Zr13 1 0.50000000 0.50000000 0.67437600 1.0 W W14 1 0.50000000 0.50000000 0.17145300 1.0 W W15 1 0.50000000 0.00000000 0.67145300 1.0