# generated using pymatgen
data_Tb8CSBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93772678
_cell_length_b   12.99084646
_cell_length_c   13.57042022
_cell_angle_alpha   90.30154760
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb8CSBr12
_chemical_formula_sum   'Tb8 C1 S1 Br12'
_cell_volume   694.17714427
_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  0.50000000  0.11464967  0.35724772  1.0
  Tb  Tb1  1  0.50000000  0.88535033  0.64275228  1.0
  Tb  Tb2  1  0.50000000  0.62354020  0.15403996  1.0
  Tb  Tb3  1  0.50000000  0.37645980  0.84596004  1.0
  Tb  Tb4  1  0.00000000  0.10090178  0.57443158  1.0
  Tb  Tb5  1  0.00000000  0.89909822  0.42556842  1.0
  Tb  Tb6  1  0.00000000  0.60987252  0.91906165  1.0
  Tb  Tb7  1  0.00000000  0.39012748  0.08093835  1.0
  C  C8  1  0.50000000  0.00000000  0.50000000  1.0
  S  S9  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br10  1  0.50000000  0.25657089  0.17441428  1.0
  Br  Br11  1  0.50000000  0.74342911  0.82558572  1.0
  Br  Br12  1  0.50000000  0.75989809  0.32731058  1.0
  Br  Br13  1  0.50000000  0.24010191  0.67268942  1.0
  Br  Br14  1  0.00000000  0.25916606  0.42485893  1.0
  Br  Br15  1  0.00000000  0.74083394  0.57514107  1.0
  Br  Br16  1  0.00000000  0.76195036  0.07737821  1.0
  Br  Br17  1  0.00000000  0.23804964  0.92262179  1.0
  Br  Br18  1  0.00000000  0.00906129  0.24062344  1.0
  Br  Br19  1  0.00000000  0.99093871  0.75937656  1.0
  Br  Br20  1  0.00000000  0.51031868  0.26278901  1.0
  Br  Br21  1  0.00000000  0.48968132  0.73721099  1.0