data_[Ba8Bi4H2]
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 [P2_1/m]
_cell_length_a [7.6852]
_cell_length_b [7.8768]
_cell_length_c [10.1529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4Bi2H]
_chemical_formula_sum '[Ba8 Bi4 H2]'
_cell_volume [580.1911]
_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  4  0.4985  0.0016  0.7439  1
  Ba  Ba1  2  0.0806  0.7500  0.3835  1
  Ba  Ba2  2  0.0953  0.7500  0.9109  1
  Bi  Bi3  2  0.2525  0.2500  0.4346  1
  Bi  Bi4  2  0.2775  0.2500  0.9477  1
  H  H5  2  0.2611  0.7500  0.1926  1
]