# generated using pymatgen
data_Tb3ThS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90679776
_cell_length_b   10.52248370
_cell_length_c   10.73249531
_cell_angle_alpha   89.34042205
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3ThS6
_chemical_formula_sum   'Tb6 Th2 S12'
_cell_volume   441.17523118
_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
  Tb  Tb0  1  0.75000000  0.48871632  0.69017294  1.0
  Tb  Tb1  1  0.25000000  0.51128368  0.30982706  1.0
  Tb  Tb2  1  0.25000000  0.19140863  0.48382565  1.0
  Tb  Tb3  1  0.75000000  0.80859137  0.51617435  1.0
  Tb  Tb4  1  0.75000000  0.68153682  0.00795653  1.0
  Tb  Tb5  1  0.25000000  0.31846318  0.99204347  1.0
  Th  Th6  1  0.25000000  0.00699205  0.80381097  1.0
  Th  Th7  1  0.75000000  0.99300795  0.19618903  1.0
  S  S8  1  0.25000000  0.29397453  0.72920185  1.0
  S  S9  1  0.75000000  0.70602547  0.27079815  1.0
  S  S10  1  0.75000000  0.80626234  0.77526124  1.0
  S  S11  1  0.25000000  0.19373766  0.22473876  1.0
  S  S12  1  0.25000000  0.94431469  0.38783046  1.0
  S  S13  1  0.75000000  0.05568531  0.61216954  1.0
  S  S14  1  0.75000000  0.44716028  0.12427726  1.0
  S  S15  1  0.25000000  0.55283972  0.87572274  1.0
  S  S16  1  0.25000000  0.86821076  0.04301711  1.0
  S  S17  1  0.75000000  0.13178924  0.95698289  1.0
  S  S18  1  0.75000000  0.37520459  0.45051819  1.0
  S  S19  1  0.25000000  0.62479541  0.54948181  1.0