# generated using pymatgen data_Mg16ScAl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.16939466 _cell_length_b 9.16939466 _cell_length_c 9.16939396 _cell_angle_alpha 109.98992023 _cell_angle_beta 109.98992023 _cell_angle_gamma 109.98992619 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16ScAl12 _chemical_formula_sum 'Mg16 Sc1 Al12' _cell_volume 581.79560388 _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 0.39511700 0.72026400 0.39511700 1.0 Mg Mg1 1 0.99800900 0.99800900 0.99800900 1.0 Mg Mg2 1 0.68476000 0.28227000 0.68476000 1.0 Mg Mg3 1 0.00394000 0.34392300 0.00394000 1.0 Mg Mg4 1 0.31177700 0.99901100 0.60502400 1.0 Mg Mg5 1 0.99901100 0.60502400 0.31177700 1.0 Mg Mg6 1 0.39511700 0.39511700 0.72026400 1.0 Mg Mg7 1 0.00394000 0.00394000 0.34392300 1.0 Mg Mg8 1 0.60502400 0.31177700 0.99901100 1.0 Mg Mg9 1 0.28227000 0.68476000 0.68476000 1.0 Mg Mg10 1 0.68476000 0.68476000 0.28227000 1.0 Mg Mg11 1 0.99901100 0.31177700 0.60502400 1.0 Mg Mg12 1 0.34392300 0.00394000 0.00394000 1.0 Mg Mg13 1 0.72026400 0.39511700 0.39511700 1.0 Mg Mg14 1 0.31177700 0.60502400 0.99901100 1.0 Mg Mg15 1 0.60502400 0.99901100 0.31177700 1.0 Sc Sc16 1 0.62871500 0.62871500 0.62871500 1.0 Al Al17 1 0.18980500 0.82543800 0.18980500 1.0 Al Al18 1 0.37334900 0.19101600 0.37334900 1.0 Al Al19 1 0.63459900 0.99526000 0.81254000 1.0 Al Al20 1 0.81254000 0.63459900 0.99526000 1.0 Al Al21 1 0.19101600 0.37334900 0.37334900 1.0 Al Al22 1 0.63459900 0.81254000 0.99526000 1.0 Al Al23 1 0.82543800 0.18980500 0.18980500 1.0 Al Al24 1 0.18980500 0.18980500 0.82543800 1.0 Al Al25 1 0.99526000 0.81254000 0.63459900 1.0 Al Al26 1 0.37334900 0.37334900 0.19101600 1.0 Al Al27 1 0.99526000 0.63459900 0.81254000 1.0 Al Al28 1 0.81254000 0.99526000 0.63459900 1.0