# generated using pymatgen data_LaMg6Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26469400 _cell_length_b 6.50367400 _cell_length_c 11.70744200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMg6Zr _chemical_formula_sum 'La2 Mg12 Zr2' _cell_volume 400.86109877 _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 La La0 1 0.50000000 0.50000000 0.16691000 1.0 La La1 1 0.50000000 0.00000000 0.66691000 1.0 Mg Mg2 1 0.50000000 0.25035000 0.41764900 1.0 Mg Mg3 1 0.50000000 0.74965000 0.41764900 1.0 Mg Mg4 1 0.00000000 0.76159100 0.08259300 1.0 Mg Mg5 1 0.00000000 0.23840900 0.08259300 1.0 Mg Mg6 1 0.00000000 0.00000000 0.33015400 1.0 Mg Mg7 1 0.00000000 0.50000000 0.34008600 1.0 Mg Mg8 1 0.50000000 0.75035000 0.91764900 1.0 Mg Mg9 1 0.50000000 0.24965000 0.91764900 1.0 Mg Mg10 1 0.00000000 0.26159100 0.58259300 1.0 Mg Mg11 1 0.00000000 0.73840900 0.58259300 1.0 Mg Mg12 1 0.00000000 0.50000000 0.83015400 1.0 Mg Mg13 1 0.00000000 0.00000000 0.84008600 1.0 Zr Zr14 1 0.50000000 0.00000000 0.16236000 1.0 Zr Zr15 1 0.50000000 0.50000000 0.66236000 1.0