data_[Tb12Sb12H8]
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 [Cmcm]
_cell_length_a [4.0162]
_cell_length_b [11.5190]
_cell_length_c [15.1733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3Sb3H2]
_chemical_formula_sum '[Tb12 Sb12 H8]'
_cell_volume [701.9606]
_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  8  0.0000  0.3546  0.5514  1
  Tb  Tb1  4  0.0000  0.3470  0.2500  1
  Sb  Sb2  8  0.0000  0.0642  0.6062  1
  Sb  Sb3  4  0.0000  0.3733  0.7500  1
  H  H4  8  0.0000  0.2294  0.0596  1
]