data_[Tb4H4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.6888]
_cell_length_b [7.5771]
_cell_length_c [13.2119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TbHBr3]
_chemical_formula_sum '[Tb4 H4 Br12]'
_cell_volume [733.3545]
_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  0.0001  0.2501  0.0839  1.0
  H  H1  4  0.0513  0.2461  0.7608  1.0
  Br  Br2  4  0.2432  0.0218  0.0263  1.0
  Br  Br3  4  0.2435  0.4777  0.5597  1.0
  Br  Br4  4  0.2461  0.2504  0.2935  1.0
]