# generated using pymatgen data_Mg16TaAl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.03759984 _cell_length_b 9.03759984 _cell_length_c 9.03759992 _cell_angle_alpha 109.33044062 _cell_angle_beta 109.33044062 _cell_angle_gamma 109.33043044 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16TaAl12 _chemical_formula_sum 'Mg16 Ta1 Al12' _cell_volume 571.19008743 _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 0.00087900 0.00087900 0.00087900 1.0 Mg Mg1 1 0.00028300 0.00028300 0.65489600 1.0 Mg Mg2 1 0.59668400 0.59668400 0.28417900 1.0 Mg Mg3 1 0.31810900 0.31810900 0.71672400 1.0 Mg Mg4 1 0.68560800 0.39765800 0.00046400 1.0 Mg Mg5 1 0.59668400 0.28417900 0.59668400 1.0 Mg Mg6 1 0.00046400 0.68560800 0.39765800 1.0 Mg Mg7 1 0.00028300 0.65489600 0.00028300 1.0 Mg Mg8 1 0.39765800 0.00046400 0.68560800 1.0 Mg Mg9 1 0.71672400 0.31810900 0.31810900 1.0 Mg Mg10 1 0.31810900 0.71672400 0.31810900 1.0 Mg Mg11 1 0.00046400 0.39765800 0.68560800 1.0 Mg Mg12 1 0.65489600 0.00028300 0.00028300 1.0 Mg Mg13 1 0.68560800 0.00046400 0.39765800 1.0 Mg Mg14 1 0.28417900 0.59668400 0.59668400 1.0 Mg Mg15 1 0.39765800 0.68560800 0.00046400 1.0 Ta Ta16 1 0.33227200 0.33227200 0.33227200 1.0 Al Al17 1 0.81378100 0.81378100 0.18142300 1.0 Al Al18 1 0.62983400 0.62983400 0.81467100 1.0 Al Al19 1 0.36764400 0.18923300 0.00817900 1.0 Al Al20 1 0.18923300 0.00817900 0.36764400 1.0 Al Al21 1 0.81467100 0.62983400 0.62983400 1.0 Al Al22 1 0.36764400 0.00817900 0.18923300 1.0 Al Al23 1 0.18142300 0.81378100 0.81378100 1.0 Al Al24 1 0.81378100 0.18142300 0.81378100 1.0 Al Al25 1 0.00817900 0.36764400 0.18923300 1.0 Al Al26 1 0.62983400 0.81467100 0.62983400 1.0 Al Al27 1 0.00817900 0.18923300 0.36764400 1.0 Al Al28 1 0.18923300 0.36764400 0.00817900 1.0