data_[Tb8H4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5793]
_cell_length_b [3.7684]
_cell_length_c [10.6409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2HCl3]
_chemical_formula_sum '[Tb8 H4 Cl12]'
_cell_volume [575.1170]
_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  0.0821  0.5000  0.4590  1.0
  Tb  Tb1  4  0.1410  0.0000  0.8017  1.0
  H  H2  4  0.0781  0.5000  0.6667  1.0
  Cl  Cl3  4  0.0396  0.0000  0.2462  1.0
  Cl  Cl4  4  0.1643  0.5000  0.0103  1.0
  Cl  Cl5  4  0.2154  0.0000  0.6165  1.0
]