data_[Tb2H2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4169]
_cell_length_b [6.9960]
_cell_length_c [5.3073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbHF4]
_chemical_formula_sum '[Tb2 H2 F8]'
_cell_volume [158.0006]
_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  0.4055  0.7500  0.3810  1.0
  H  H1  2  0.0561  0.2500  0.1439  1.0
  F  F2  4  0.3569  0.0629  0.2743  1.0
  F  F3  2  0.1140  0.2500  0.6781  1.0
  F  F4  2  0.1726  0.7500  0.9074  1.0
]