# generated using pymatgen data_TbPr2ThS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02191430 _cell_length_b 10.63761960 _cell_length_c 10.92811298 _cell_angle_alpha 89.43633861 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbPr2ThS6 _chemical_formula_sum 'Tb2 Pr4 Th2 S12' _cell_volume 467.52132914 _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 0.25000000 0.68560100 0.49044174 1.0 Tb Tb1 1 0.75000000 0.31439900 0.50955826 1.0 Pr Pr2 1 0.25000000 0.00496759 0.31079436 1.0 Pr Pr3 1 0.75000000 0.99503241 0.68920564 1.0 Pr Pr4 1 0.75000000 0.50184776 0.19634970 1.0 Pr Pr5 1 0.25000000 0.49815124 0.80365030 1.0 Th Th6 1 0.75000000 0.18955863 0.01071915 1.0 Th Th7 1 0.25000000 0.81044137 0.98928085 1.0 S S8 1 0.25000000 0.05382383 0.88062353 1.0 S S9 1 0.75000000 0.94617617 0.11937647 1.0 S S10 1 0.75000000 0.55274447 0.61298345 1.0 S S11 1 0.25000000 0.44725553 0.38701655 1.0 S S12 1 0.25000000 0.13531208 0.54479791 1.0 S S13 1 0.75000000 0.86468792 0.45520209 1.0 S S14 1 0.75000000 0.62729081 0.95292954 1.0 S S15 1 0.25000000 0.37270919 0.04707046 1.0 S S16 1 0.25000000 0.70492344 0.22911466 1.0 S S17 1 0.75000000 0.29507656 0.77088534 1.0 S S18 1 0.75000000 0.20612968 0.27098029 1.0 S S19 1 0.25000000 0.79387032 0.72901971 1.0