# generated using pymatgen
data_Tb5(ThS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92400026
_cell_length_b   10.52728012
_cell_length_c   10.74934217
_cell_angle_alpha   89.74941609
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb5(ThS4)3
_chemical_formula_sum   'Tb5 Th3 S12'
_cell_volume   444.04086523
_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
  Tb  Tb0  1  0.25000000  0.50924114  0.30633635  1.0
  Tb  Tb1  1  0.25000000  0.18795056  0.48335048  1.0
  Tb  Tb2  1  0.75000000  0.81366455  0.51333147  1.0
  Tb  Tb3  1  0.75000000  0.68311533  0.01429061  1.0
  Tb  Tb4  1  0.25000000  0.31539254  0.99183057  1.0
  Th  Th5  1  0.25000000  0.00014128  0.80364532  1.0
  Th  Th6  1  0.75000000  0.99640281  0.19605692  1.0
  Th  Th7  1  0.75000000  0.49620964  0.69131378  1.0
  S  S8  1  0.25000000  0.29513070  0.72815151  1.0
  S  S9  1  0.75000000  0.70443311  0.27280646  1.0
  S  S10  1  0.75000000  0.79808958  0.77356268  1.0
  S  S11  1  0.25000000  0.19650935  0.22467134  1.0
  S  S12  1  0.25000000  0.94448935  0.38447806  1.0
  S  S13  1  0.75000000  0.05679924  0.61561734  1.0
  S  S14  1  0.75000000  0.44626036  0.12397935  1.0
  S  S15  1  0.25000000  0.55340713  0.88185740  1.0
  S  S16  1  0.25000000  0.86900785  0.04458999  1.0
  S  S17  1  0.75000000  0.13004189  0.95383673  1.0
  S  S18  1  0.75000000  0.37426820  0.45016655  1.0
  S  S19  1  0.25000000  0.62944638  0.54612607  1.0