data_[Tb2B4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5947]
_cell_length_b [4.1710]
_cell_length_c [3.9099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(BH4)2]
_chemical_formula_sum '[Tb2 B4 H16]'
_cell_volume [216.7231]
_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  0.0000  0.0000  0.0000  1.0
  B  B1  4  0.1338  0.0000  0.5858  1.0
  H  H2  8  0.0791  0.2428  0.5730  1.0
  H  H3  4  0.1701  0.0000  0.3274  1.0
  H  H4  4  0.1985  0.0000  0.8480  1.0
]