# generated using pymatgen
data_Pr5(ThS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04983470
_cell_length_b   10.74541687
_cell_length_c   11.00437625
_cell_angle_alpha   89.73088172
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr5(ThS4)3
_chemical_formula_sum   'Pr5 Th3 S12'
_cell_volume   478.87394295
_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
  Pr  Pr0  1  0.25000000  0.00546904  0.30845790  1.0
  Pr  Pr1  1  0.75000000  0.99220569  0.69219182  1.0
  Pr  Pr2  1  0.75000000  0.50464175  0.19014525  1.0
  Pr  Pr3  1  0.25000000  0.49651401  0.80657071  1.0
  Pr  Pr4  1  0.25000000  0.68803430  0.48740530  1.0
  Th  Th5  1  0.75000000  0.31377391  0.51271218  1.0
  Th  Th6  1  0.75000000  0.18697034  0.01218497  1.0
  Th  Th7  1  0.25000000  0.81301829  0.98790923  1.0
  S  S8  1  0.25000000  0.05645350  0.88182705  1.0
  S  S9  1  0.75000000  0.94471340  0.11924573  1.0
  S  S10  1  0.75000000  0.55162349  0.61960622  1.0
  S  S11  1  0.25000000  0.44324278  0.37973703  1.0
  S  S12  1  0.25000000  0.13109368  0.54853988  1.0
  S  S13  1  0.75000000  0.87480685  0.45315945  1.0
  S  S14  1  0.75000000  0.62949561  0.95226659  1.0
  S  S15  1  0.25000000  0.37028448  0.04676658  1.0
  S  S16  1  0.25000000  0.70334725  0.22302578  1.0
  S  S17  1  0.75000000  0.29425450  0.77352974  1.0
  S  S18  1  0.75000000  0.20461408  0.27302640  1.0
  S  S19  1  0.25000000  0.79544003  0.73169121  1.0