# generated using pymatgen data_Mg16TiAl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.98949525 _cell_length_b 8.98949525 _cell_length_c 8.98949525 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16TiAl12 _chemical_formula_sum 'Mg16 Ti1 Al12' _cell_volume 559.22171938 _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 0.34104626 0.34104626 0.34104626 1.0 Mg Mg1 1 0.65895374 -0.00000000 0.00000000 1.0 Mg Mg2 1 0.71438845 0.31669913 0.31669913 1.0 Mg Mg3 1 0.28561155 0.60231068 0.60231068 1.0 Mg Mg4 1 -0.00000000 0.68330087 0.39768932 1.0 Mg Mg5 1 0.60231068 0.60231068 0.28561155 1.0 Mg Mg6 1 0.39768932 -0.00000000 0.68330087 1.0 Mg Mg7 1 0.00000000 0.00000000 0.65895374 1.0 Mg Mg8 1 0.68330087 0.39768932 -0.00000000 1.0 Mg Mg9 1 0.31669913 0.71438845 0.31669913 1.0 Mg Mg10 1 0.31669913 0.31669913 0.71438845 1.0 Mg Mg11 1 0.68330087 0.00000000 0.39768932 1.0 Mg Mg12 1 0.00000000 0.65895374 -0.00000000 1.0 Mg Mg13 1 0.60231068 0.28561155 0.60231068 1.0 Mg Mg14 1 0.39768932 0.68330087 -0.00000000 1.0 Mg Mg15 1 -0.00000000 0.39768932 0.68330087 1.0 Ti Ti16 1 -0.00000000 -0.00000000 -0.00000000 1.0 Al Al17 1 0.17866696 0.81558362 0.81558362 1.0 Al Al18 1 0.82133304 0.63691666 0.63691666 1.0 Al Al19 1 -0.00000000 0.36308334 0.18441638 1.0 Al Al20 1 0.36308334 0.18441638 -0.00000000 1.0 Al Al21 1 0.63691666 0.82133304 0.63691666 1.0 Al Al22 1 0.81558362 0.17866696 0.81558362 1.0 Al Al23 1 0.18441638 0.36308334 0.00000000 1.0 Al Al24 1 0.18441638 0.00000000 0.36308334 1.0 Al Al25 1 0.81558362 0.81558362 0.17866696 1.0 Al Al26 1 0.63691666 0.63691666 0.82133304 1.0 Al Al27 1 0.36308334 0.00000000 0.18441638 1.0 Al Al28 1 -0.00000000 0.18441638 0.36308334 1.0