# generated using pymatgen
data_Pr3ThS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05098580
_cell_length_b   10.78499900
_cell_length_c   11.03940084
_cell_angle_alpha   89.55457937
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3ThS6
_chemical_formula_sum   'Pr6 Th2 S12'
_cell_volume   482.29549889
_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
  Pr  Pr0  1  0.25000000  0.00604033  0.30966816  1.0
  Pr  Pr1  1  0.75000000  0.99395967  0.69033184  1.0
  Pr  Pr2  1  0.75000000  0.50327607  0.19183345  1.0
  Pr  Pr3  1  0.25000000  0.49672293  0.80816655  1.0
  Pr  Pr4  1  0.25000000  0.68614734  0.48875227  1.0
  Pr  Pr5  1  0.75000000  0.31385266  0.51124773  1.0
  Th  Th6  1  0.75000000  0.18814617  0.01097019  1.0
  Th  Th7  1  0.25000000  0.81185383  0.98902981  1.0
  S  S8  1  0.25000000  0.05455323  0.88223753  1.0
  S  S9  1  0.75000000  0.94544677  0.11776247  1.0
  S  S10  1  0.75000000  0.55313778  0.62215206  1.0
  S  S11  1  0.25000000  0.44686222  0.37784794  1.0
  S  S12  1  0.25000000  0.12767264  0.54709696  1.0
  S  S13  1  0.75000000  0.87232736  0.45290304  1.0
  S  S14  1  0.75000000  0.62949720  0.95294091  1.0
  S  S15  1  0.25000000  0.37050280  0.04705909  1.0
  S  S16  1  0.25000000  0.70415458  0.22274809  1.0
  S  S17  1  0.75000000  0.29584542  0.77725191  1.0
  S  S18  1  0.75000000  0.20270823  0.26679289  1.0
  S  S19  1  0.25000000  0.79729177  0.73320711  1.0