data_[Tb2S4Br4]
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 [7.4732]
_cell_length_b [7.7459]
_cell_length_c [7.9877]
_cell_angle_alpha [114.5917]
_cell_angle_beta [90.3719]
_cell_angle_gamma [118.7977]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb(SBr)2]
_chemical_formula_sum '[Tb2 S4 Br4]'
_cell_volume [355.8002]
_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  2  0.1680  0.3369  1.0000  1.0
  S  S1  2  0.0451  0.1377  0.2443  1.0
  S  S2  2  0.2076  0.9696  0.9459  1.0
  Br  Br3  2  0.1213  0.6857  0.2598  1.0
  Br  Br4  2  0.4181  0.3929  0.7404  1.0
]