# generated using pymatgen data_Th(Mg4Al3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17405479 _cell_length_b 9.17405479 _cell_length_c 9.17405479 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th(Mg4Al3)4 _chemical_formula_sum 'Th1 Mg16 Al12' _cell_volume 594.37713903 _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 0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.63377900 0.00000000 0.00000000 1.0 Mg Mg2 1 0.71676000 0.32043400 0.32043400 1.0 Mg Mg3 1 0.36622100 0.36622100 0.36622100 1.0 Mg Mg4 1 0.28324000 0.60367400 0.60367400 1.0 Mg Mg5 1 0.00000000 0.67956600 0.39632600 1.0 Mg Mg6 1 0.39632600 0.00000000 0.67956600 1.0 Mg Mg7 1 0.60367400 0.60367400 0.28324000 1.0 Mg Mg8 1 0.00000000 0.00000000 0.63377900 1.0 Mg Mg9 1 0.67956600 0.39632600 0.00000000 1.0 Mg Mg10 1 0.32043400 0.71676000 0.32043400 1.0 Mg Mg11 1 0.67956600 0.00000000 0.39632600 1.0 Mg Mg12 1 0.32043400 0.32043400 0.71676000 1.0 Mg Mg13 1 0.00000000 0.63377900 0.00000000 1.0 Mg Mg14 1 0.60367400 0.28324000 0.60367400 1.0 Mg Mg15 1 0.39632600 0.67956600 0.00000000 1.0 Mg Mg16 1 0.00000000 0.39632600 0.67956600 1.0 Al Al17 1 0.18310600 0.81332300 0.81332300 1.0 Al Al18 1 0.81689400 0.63021800 0.63021800 1.0 Al Al19 1 0.00000000 0.36978200 0.18667700 1.0 Al Al20 1 0.36978200 0.18667700 0.00000000 1.0 Al Al21 1 0.63021800 0.81689400 0.63021800 1.0 Al Al22 1 0.18667700 0.36978200 0.00000000 1.0 Al Al23 1 0.81332300 0.18310600 0.81332300 1.0 Al Al24 1 0.18667700 0.00000000 0.36978200 1.0 Al Al25 1 0.81332300 0.81332300 0.18310600 1.0 Al Al26 1 0.63021800 0.63021800 0.81689400 1.0 Al Al27 1 0.36978200 0.00000000 0.18667700 1.0 Al Al28 1 0.00000000 0.18667700 0.36978200 1.0