data_[Ba20Bi8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [24.1752]
_cell_length_b [7.6320]
_cell_length_c [7.5243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ba5(BiH)2]
_chemical_formula_sum '[Ba20 Bi8 H8]'
_cell_volume [1388.2680]
_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  0.0029  0.2489  0.2220  1.0
  Ba  Ba1  8  0.1506  0.5240  0.4710  1.0
  Ba  Ba2  4  0.2500  0.0448  0.4442  1.0
  Bi  Bi3  8  0.1044  0.5035  0.9751  1.0
  H  H4  4  0.0000  0.0000  0.9713  1.0
  H  H5  4  0.2500  0.1241  0.0841  1.0
]