# generated using pymatgen
data_PrTh9(Pb3S)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54600961
_cell_length_b   9.58480518
_cell_length_c   6.66899175
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.13351841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTh9(Pb3S)2
_chemical_formula_sum   'Pr1 Th9 Pb6 S2'
_cell_volume   527.72793842
_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  0.99996122  0.74610752  0.25000000  1.0
  Th  Th1  1  0.74751089  0.74778147  0.75000000  1.0
  Th  Th2  1  0.25254213  0.00037059  0.75000000  1.0
  Th  Th3  1  0.99994941  0.25599344  0.75000000  1.0
  Th  Th4  1  0.25447107  0.25369628  0.25000000  1.0
  Th  Th5  1  0.74557868  0.99932960  0.25000000  1.0
  Th  Th6  1  0.66515865  0.33062465  0.99929628  1.0
  Th  Th7  1  0.33483643  0.66546778  0.99929641  1.0
  Th  Th8  1  0.33483643  0.66546778  0.50070359  1.0
  Th  Th9  1  0.66515865  0.33062465  0.50070372  1.0
  Pb  Pb10  1  0.39220629  0.39131288  0.75000000  1.0
  Pb  Pb11  1  0.60785394  0.99923332  0.75000000  1.0
  Pb  Pb12  1  0.99993825  0.60951168  0.75000000  1.0
  Pb  Pb13  1  0.61010078  0.60776394  0.25000000  1.0
  Pb  Pb14  1  0.38995786  0.99778686  0.25000000  1.0
  Pb  Pb15  1  0.99993771  0.39152789  0.25000000  1.0
  S  S16  1  0.00000131  0.00369734  0.99827196  1.0
  S  S17  1  0.00000131  0.00369734  0.50172804  1.0