# generated using pymatgen data_TbThScAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83611503 _cell_length_b 5.83615150 _cell_length_c 9.22416945 _cell_angle_alpha 90.00039262 _cell_angle_beta 89.99881795 _cell_angle_gamma 120.00095685 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbThScAl3 _chemical_formula_sum 'Tb2 Th2 Sc2 Al6' _cell_volume 272.08469774 _cell_formula_units_Z 2 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 Tb Tb0 1 0.66666676 0.33333278 0.44170202 1.0 Tb Tb1 1 0.33333324 0.66666722 0.55829798 1.0 Th Th2 1 0.33332973 0.66666470 0.94317946 1.0 Th Th3 1 0.66667027 0.33333530 0.05682054 1.0 Sc Sc4 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1.0 Al Al6 1 0.65261142 0.82630488 0.25180372 1.0 Al Al7 1 0.17369473 0.82630633 0.25180285 1.0 Al Al8 1 0.17369534 0.34738802 0.25180278 1.0 Al Al9 1 0.34738858 0.17369512 0.74819628 1.0 Al Al10 1 0.82630527 0.17369367 0.74819715 1.0 Al Al11 1 0.82630466 0.65261198 0.74819722 1.0