data_[Tb8S8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5938]
_cell_length_b [5.4654]
_cell_length_c [8.2110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2S2Br]
_chemical_formula_sum '[Tb8 S8 Br4]'
_cell_volume [537.2810]
_cell_formula_units_Z [4]
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  4  0.0058  0.5000  0.7375  1.0
  Tb  Tb1  4  0.1617  0.0000  0.5686  1.0
  S  S2  4  0.0041  0.0000  0.7379  1.0
  S  S3  4  0.1637  0.5000  0.5738  1.0
  Br  Br4  4  0.1642  0.5000  0.0877  1.0
]