# generated using pymatgen data_Tb2PrThS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97072171 _cell_length_b 10.51796533 _cell_length_c 10.84904519 _cell_angle_alpha 90.14107095 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2PrThS6 _chemical_formula_sum 'Tb4 Pr2 Th2 S12' _cell_volume 453.09720891 _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 0.18394313 0.49066669 1.0 Tb Tb1 1 0.75000000 0.81605687 0.50933331 1.0 Tb Tb2 1 0.75000000 0.68844002 0.01263280 1.0 Tb Tb3 1 0.25000000 0.31155998 0.98736720 1.0 Pr Pr4 1 0.25000000 0.99347048 0.80677156 1.0 Pr Pr5 1 0.75000000 0.00652952 0.19322844 1.0 Th Th6 1 0.75000000 0.50492021 0.69534995 1.0 Th Th7 1 0.25000000 0.49507979 0.30465005 1.0 S S8 1 0.25000000 0.30498056 0.72476331 1.0 S S9 1 0.75000000 0.69501944 0.27523669 1.0 S S10 1 0.75000000 0.78694088 0.76655282 1.0 S S11 1 0.25000000 0.21305912 0.23344718 1.0 S S12 1 0.25000000 0.94578358 0.38301861 1.0 S S13 1 0.75000000 0.05421642 0.61698139 1.0 S S14 1 0.75000000 0.44668905 0.11432004 1.0 S S15 1 0.25000000 0.55331095 0.88567996 1.0 S S16 1 0.25000000 0.86646477 0.04734583 1.0 S S17 1 0.75000000 0.13353523 0.95265417 1.0 S S18 1 0.75000000 0.37086666 0.45696786 1.0 S S19 1 0.25000000 0.62913334 0.54303214 1.0