data_[Tb12Sb4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.9356]
_cell_length_b [3.9936]
_cell_length_c [6.1573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3SbH2]
_chemical_formula_sum '[Tb12 Sb4 H8]'
_cell_volume [522.2076]
_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  0.0419  0.0000  0.2802  1
  Tb  Tb1  4  0.1005  0.5000  0.8505  1
  Tb  Tb2  4  0.2300  0.0000  0.2128  1
  Sb  Sb3  4  0.1506  0.5000  0.4053  1
  H  H4  4  0.0585  0.0000  0.9275  1
  H  H5  4  0.2083  0.5000  0.0185  1
]