data_[Ba14Bi8H2]
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 [C2/m]
_cell_length_a [18.4247]
_cell_length_b [5.9415]
_cell_length_c [12.6372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.6554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba7Bi4H]
_chemical_formula_sum '[Ba14 Bi8 H2]'
_cell_volume [1080.3190]
_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  0.0788  0.0000  0.2705  1
  Ba  Ba1  4  0.1387  0.5000  0.5479  1
  Ba  Ba2  4  0.2067  0.0000  0.8564  1
  Ba  Ba3  2  0.0000  0.5000  0.0000  1
  Bi  Bi4  4  0.0784  0.5000  0.7903  1
  Bi  Bi5  4  0.2222  0.5000  0.3417  1
  H  H6  2  0.0000  0.0000  0.0000  1
]