data_[Ba16Bi10H2]
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 [I-4]
_cell_length_a [10.6131]
_cell_length_b [10.6131]
_cell_length_c [10.8031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ba8Bi5H]
_chemical_formula_sum '[Ba16 Bi10 H2]'
_cell_volume [1216.8401]
_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
[
  Ba  Ba0  8  0.0670  0.1853  0.1996  1.0
  Ba  Ba1  8  0.0743  0.3149  0.5700  1.0
  Bi  Bi2  8  0.1275  0.2486  0.8822  1.0
  Bi  Bi3  2  0.0000  0.0000  0.5000  1.0
  H  H4  2  0.0000  0.5000  0.2500  1.0
]