# generated using pymatgen
data_Tb8C3SBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76507674
_cell_length_b   10.91712494
_cell_length_c   20.46232335
_cell_angle_alpha   91.69172802
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb8C3SBr6
_chemical_formula_sum   'Tb16 C6 S2 Br12'
_cell_volume   840.71291787
_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  0.25000000  0.87702860  0.57649517  1.0
  Tb  Tb1  1  0.75000000  0.12297140  0.42350483  1.0
  Tb  Tb2  1  0.75000000  0.63646926  0.08023233  1.0
  Tb  Tb3  1  0.25000000  0.36353074  0.91976767  1.0
  Tb  Tb4  1  0.25000000  0.89129503  0.73913025  1.0
  Tb  Tb5  1  0.75000000  0.10870497  0.26086975  1.0
  Tb  Tb6  1  0.75000000  0.64614087  0.24175872  1.0
  Tb  Tb7  1  0.25000000  0.35385913  0.75824128  1.0
  Tb  Tb8  1  0.25000000  0.86620940  0.16919474  1.0
  Tb  Tb9  1  0.75000000  0.13379060  0.83080526  1.0
  Tb  Tb10  1  0.75000000  0.65290339  0.65720550  1.0
  Tb  Tb11  1  0.25000000  0.34709661  0.34279450  1.0
  Tb  Tb12  1  0.25000000  0.88984248  0.33183151  1.0
  Tb  Tb13  1  0.75000000  0.11015752  0.66816849  1.0
  Tb  Tb14  1  0.75000000  0.59048922  0.84011390  1.0
  Tb  Tb15  1  0.25000000  0.40951078  0.15988610  1.0
  C  C16  1  0.75000000  0.87782285  0.25230376  1.0
  C  C17  1  0.25000000  0.12217715  0.74769624  1.0
  C  C18  1  0.25000000  0.63258201  0.15527887  1.0
  C  C19  1  0.75000000  0.36741799  0.84472113  1.0
  C  C20  1  0.75000000  0.87618983  0.65225545  1.0
  C  C21  1  0.25000000  0.12381017  0.34774455  1.0
  S  S22  1  0.25000000  0.62194154  0.74905369  1.0
  S  S23  1  0.75000000  0.37805846  0.25094631  1.0
  Br  Br24  1  0.25000000  0.62003665  0.54991888  1.0
  Br  Br25  1  0.75000000  0.37996335  0.45008112  1.0
  Br  Br26  1  0.75000000  0.88577382  0.05627635  1.0
  Br  Br27  1  0.25000000  0.11422618  0.94372365  1.0
  Br  Br28  1  0.25000000  0.62822514  0.95457318  1.0
  Br  Br29  1  0.75000000  0.37177486  0.04542682  1.0
  Br  Br30  1  0.75000000  0.86580200  0.45378029  1.0
  Br  Br31  1  0.25000000  0.13419800  0.54621971  1.0
  Br  Br32  1  0.25000000  0.62541995  0.35453757  1.0
  Br  Br33  1  0.75000000  0.37458005  0.64546243  1.0
  Br  Br34  1  0.75000000  0.86644580  0.85173129  1.0
  Br  Br35  1  0.25000000  0.13355420  0.14826871  1.0