data_[Ba20Sb8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [23.7537]
_cell_length_b [7.5739]
_cell_length_c [7.4214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ba5(SbH)2]
_chemical_formula_sum '[Ba20 Sb8 H8]'
_cell_volume [1335.1761]
_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
[
  Ba  Ba0  8  0.0040  0.7487  0.2779  1.0
  Ba  Ba1  8  0.1495  0.0285  0.0294  1.0
  Ba  Ba2  4  0.2500  0.5449  0.0547  1.0
  Sb  Sb3  8  0.1036  0.0062  0.5249  1.0
  H  H4  4  0.0000  0.0000  0.0286  1.0
  H  H5  4  0.2500  0.6228  0.4164  1.0
]