data_[Tb1S4Br6]
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 [P-1]
_cell_length_a [6.7259]
_cell_length_b [7.9037]
_cell_length_c [8.5592]
_cell_angle_alpha [65.4646]
_cell_angle_beta [74.7309]
_cell_angle_gamma [70.8612]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb(S2Br3)2]
_chemical_formula_sum '[Tb1 S4 Br6]'
_cell_volume [386.7340]
_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  0.0000  0.0000  0.0000  1.0
  S  S1  2  0.2810  0.6125  0.5065  1.0
  S  S2  2  0.4343  0.3423  0.6492  1.0
  Br  Br3  2  0.0230  0.6059  0.1986  1.0
  Br  Br4  2  0.1913  0.0285  0.2438  1.0
  Br  Br5  2  0.3543  0.8990  0.7701  1.0
]