data_[Tb8H4Br12]
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 [C2/m]
_cell_length_a [17.9019]
_cell_length_b [3.8451]
_cell_length_c [11.3376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2HBr3]
_chemical_formula_sum '[Tb8 H4 Br12]'
_cell_volume [663.0935]
_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  0.0743  0.5000  0.4614  1.0
  Tb  Tb1  4  0.1386  0.0000  0.7960  1.0
  H  H2  4  0.0781  0.5000  0.6658  1.0
  Br  Br3  4  0.0365  0.0000  0.2446  1.0
  Br  Br4  4  0.1655  0.5000  0.0106  1.0
  Br  Br5  4  0.2133  0.0000  0.6194  1.0
]