# generated using pymatgen
data_Tb3Pr(ThS3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95900867
_cell_length_b   10.59737086
_cell_length_c   10.84214803
_cell_angle_alpha   90.45630893
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Pr(ThS3)4
_chemical_formula_sum   'Tb3 Pr1 Th4 S12'
_cell_volume   454.86879586
_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
  Tb  Tb0  1  0.75000000  0.81404156  0.51349269  1.0
  Tb  Tb1  1  0.75000000  0.68589972  0.01184042  1.0
  Tb  Tb2  1  0.25000000  0.31421606  0.98584623  1.0
  Pr  Pr3  1  0.75000000  0.49934272  0.69601564  1.0
  Th  Th4  1  0.25000000  0.99641099  0.80918193  1.0
  Th  Th5  1  0.75000000  0.00443544  0.19832226  1.0
  Th  Th6  1  0.25000000  0.50653003  0.30456047  1.0
  Th  Th7  1  0.25000000  0.18501717  0.48568553  1.0
  S  S8  1  0.25000000  0.29149578  0.72961393  1.0
  S  S9  1  0.75000000  0.70444345  0.27036807  1.0
  S  S10  1  0.75000000  0.79880570  0.77556130  1.0
  S  S11  1  0.25000000  0.20218238  0.22159447  1.0
  S  S12  1  0.25000000  0.93943990  0.38008075  1.0
  S  S13  1  0.75000000  0.05165337  0.62163287  1.0
  S  S14  1  0.75000000  0.44606481  0.11755972  1.0
  S  S15  1  0.25000000  0.55337063  0.88586536  1.0
  S  S16  1  0.25000000  0.87089767  0.04792987  1.0
  S  S17  1  0.75000000  0.12807948  0.95529225  1.0
  S  S18  1  0.75000000  0.37536079  0.44690993  1.0
  S  S19  1  0.25000000  0.63231134  0.54264929  1.0