# generated using pymatgen data_Th(Mg4Al3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.26526587 _cell_length_b 9.26526587 _cell_length_c 9.26526537 _cell_angle_alpha 110.12704647 _cell_angle_beta 110.12704647 _cell_angle_gamma 110.12705155 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th(Mg4Al3)4 _chemical_formula_sum 'Th1 Mg16 Al12' _cell_volume 596.95291859 _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 Th Th0 1 0.37264200 0.37264200 0.37264200 1.0 Mg Mg1 1 0.65332600 0.99591900 0.99591900 1.0 Mg Mg2 1 0.71847200 0.31634400 0.31634400 1.0 Mg Mg3 1 0.27861900 0.61402600 0.61402600 1.0 Mg Mg4 1 0.99458200 0.99458200 0.99458200 1.0 Mg Mg5 1 0.00162100 0.68910900 0.39311300 1.0 Mg Mg6 1 0.39311300 0.00162100 0.68910900 1.0 Mg Mg7 1 0.61402600 0.61402600 0.27861900 1.0 Mg Mg8 1 0.99591900 0.99591900 0.65332600 1.0 Mg Mg9 1 0.68910900 0.39311300 0.00162100 1.0 Mg Mg10 1 0.31634400 0.71847200 0.31634400 1.0 Mg Mg11 1 0.31634400 0.31634400 0.71847200 1.0 Mg Mg12 1 0.68910900 0.00162100 0.39311300 1.0 Mg Mg13 1 0.99591900 0.65332600 0.99591900 1.0 Mg Mg14 1 0.61402600 0.27861900 0.61402600 1.0 Mg Mg15 1 0.39311300 0.68910900 0.00162100 1.0 Mg Mg16 1 0.00162100 0.39311300 0.68910900 1.0 Al Al17 1 0.17228400 0.81069600 0.81069600 1.0 Al Al18 1 0.81128500 0.62822500 0.62822500 1.0 Al Al19 1 0.99983900 0.36477600 0.18571500 1.0 Al Al20 1 0.62822500 0.81128500 0.62822500 1.0 Al Al21 1 0.36477600 0.18571500 0.99983900 1.0 Al Al22 1 0.81069600 0.17228400 0.81069600 1.0 Al Al23 1 0.18571500 0.36477600 0.99983900 1.0 Al Al24 1 0.18571500 0.99983900 0.36477600 1.0 Al Al25 1 0.81069600 0.81069600 0.17228400 1.0 Al Al26 1 0.36477600 0.99983900 0.18571500 1.0 Al Al27 1 0.62822500 0.62822500 0.81128500 1.0 Al Al28 1 0.99983900 0.18571500 0.36477600 1.0