# generated using pymatgen data_Mg16ZrAl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21027862 _cell_length_b 9.21027862 _cell_length_c 9.21027826 _cell_angle_alpha 110.43375556 _cell_angle_beta 110.43375556 _cell_angle_gamma 110.43375382 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16ZrAl12 _chemical_formula_sum 'Mg16 Zr1 Al12' _cell_volume 579.02196856 _cell_formula_units_Z 1 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 0.00493400 0.00493400 0.34466100 1.0 Mg Mg1 1 0.99688500 0.99688500 0.99688500 1.0 Mg Mg2 1 0.39512300 0.39512300 0.72138900 1.0 Mg Mg3 1 0.68517600 0.68517600 0.27997800 1.0 Mg Mg4 1 0.60585700 0.31086700 0.99862500 1.0 Mg Mg5 1 0.31086700 0.99862500 0.60585700 1.0 Mg Mg6 1 0.72138900 0.39512300 0.39512300 1.0 Mg Mg7 1 0.34466100 0.00493400 0.00493400 1.0 Mg Mg8 1 0.99862500 0.60585700 0.31086700 1.0 Mg Mg9 1 0.68517600 0.27997800 0.68517600 1.0 Mg Mg10 1 0.27997800 0.68517600 0.68517600 1.0 Mg Mg11 1 0.60585700 0.99862500 0.31086700 1.0 Mg Mg12 1 0.00493400 0.34466100 0.00493400 1.0 Mg Mg13 1 0.39512300 0.72138900 0.39512300 1.0 Mg Mg14 1 0.99862500 0.31086700 0.60585700 1.0 Mg Mg15 1 0.31086700 0.60585700 0.99862500 1.0 Zr Zr16 1 0.62884700 0.62884700 0.62884700 1.0 Al Al17 1 0.37429300 0.37429300 0.19401400 1.0 Al Al18 1 0.19079000 0.19079000 0.82525200 1.0 Al Al19 1 0.81211500 0.63416100 0.99254500 1.0 Al Al20 1 0.99254500 0.81211500 0.63416100 1.0 Al Al21 1 0.37429300 0.19401400 0.37429300 1.0 Al Al22 1 0.99254500 0.63416100 0.81211500 1.0 Al Al23 1 0.19079000 0.82525200 0.19079000 1.0 Al Al24 1 0.82525200 0.19079000 0.19079000 1.0 Al Al25 1 0.63416100 0.99254500 0.81211500 1.0 Al Al26 1 0.19401400 0.37429300 0.37429300 1.0 Al Al27 1 0.81211500 0.99254500 0.63416100 1.0 Al Al28 1 0.63416100 0.81211500 0.99254500 1.0