# generated using pymatgen
data_Pr3Th5S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00224175
_cell_length_b   10.86250797
_cell_length_c   10.94328802
_cell_angle_alpha   89.53675394
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Th5S12
_chemical_formula_sum   'Pr3 Th5 S12'
_cell_volume   475.73714376
_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  0.01802068  0.30599255  1.0
  Pr  Pr1  1  0.75000000  0.97972455  0.69432096  1.0
  Pr  Pr2  1  0.75000000  0.50217575  0.19315740  1.0
  Th  Th3  1  0.25000000  0.49787410  0.80474243  1.0
  Th  Th4  1  0.25000000  0.68762592  0.48113375  1.0
  Th  Th5  1  0.75000000  0.31441010  0.52022981  1.0
  Th  Th6  1  0.75000000  0.18232289  0.01642349  1.0
  Th  Th7  1  0.25000000  0.81485687  0.98559327  1.0
  S  S8  1  0.25000000  0.05586589  0.87672933  1.0
  S  S9  1  0.75000000  0.94304909  0.12285952  1.0
  S  S10  1  0.75000000  0.55666025  0.61931621  1.0
  S  S11  1  0.25000000  0.44504148  0.38368343  1.0
  S  S12  1  0.25000000  0.12821844  0.55369358  1.0
  S  S13  1  0.75000000  0.87231138  0.44692770  1.0
  S  S14  1  0.75000000  0.62634173  0.94775791  1.0
  S  S15  1  0.25000000  0.37247641  0.04334748  1.0
  S  S16  1  0.25000000  0.69700702  0.22082187  1.0
  S  S17  1  0.75000000  0.30743540  0.78251642  1.0
  S  S18  1  0.75000000  0.21238714  0.27650135  1.0
  S  S19  1  0.25000000  0.78619292  0.72425253  1.0