# generated using pymatgen data_TbDy2ThS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90389903 _cell_length_b 10.47900377 _cell_length_c 10.70410279 _cell_angle_alpha 89.40696150 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbDy2ThS6 _chemical_formula_sum 'Tb2 Dy4 Th2 S12' _cell_volume 437.87039189 _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 0.75000000 0.49029351 0.69068516 1.0 Tb Tb1 1 0.25000000 0.50970649 0.30931484 1.0 Dy Dy2 1 0.25000000 0.19110803 0.48417422 1.0 Dy Dy3 1 0.75000000 0.80889197 0.51582578 1.0 Dy Dy4 1 0.75000000 0.68163415 0.00834996 1.0 Dy Dy5 1 0.25000000 0.31836585 0.99165004 1.0 Th Th6 1 0.25000000 0.00654335 0.80343925 1.0 Th Th7 1 0.75000000 0.99345665 0.19656075 1.0 S S8 1 0.25000000 0.29464358 0.72939592 1.0 S S9 1 0.75000000 0.70535642 0.27060408 1.0 S S10 1 0.75000000 0.80472017 0.77446940 1.0 S S11 1 0.25000000 0.19527983 0.22553060 1.0 S S12 1 0.25000000 0.94392296 0.38827141 1.0 S S13 1 0.75000000 0.05607704 0.61172859 1.0 S S14 1 0.75000000 0.44689537 0.12293344 1.0 S S15 1 0.25000000 0.55310463 0.87706656 1.0 S S16 1 0.25000000 0.86757364 0.04304829 1.0 S S17 1 0.75000000 0.13242636 0.95695171 1.0 S S18 1 0.75000000 0.37414461 0.45134461 1.0 S S19 1 0.25000000 0.62585539 0.54865539 1.0