data_[Ba2H8O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1664]
_cell_length_b [6.4279]
_cell_length_c [7.1908]
_cell_angle_alpha [70.6770]
_cell_angle_beta [89.4056]
_cell_angle_gamma [89.2841]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaH4O3]
_chemical_formula_sum '[Ba2 H8 O6]'
_cell_volume [181.7119]
_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  1  0.2541  0.8569  0.2786  1.0
  Ba  Ba1  1  0.7486  0.1347  0.7180  1.0
  H  H2  1  0.0556  0.3194  0.3383  1.0
  H  H3  1  0.2482  0.3506  0.9378  1.0
  H  H4  1  0.2499  0.7674  0.8321  1.0
  H  H5  1  0.4410  0.3149  0.3389  1.0
  H  H6  1  0.5656  0.6743  0.6560  1.0
  H  H7  1  0.7539  0.2244  0.1628  1.0
  H  H8  1  0.7543  0.6443  0.0643  1.0
  H  H9  1  0.9495  0.6588  0.6593  1.0
  O  O10  1  0.2422  0.2003  0.9364  1.0
  O  O11  1  0.2479  0.3895  0.3786  1.0
  O  O12  1  0.2685  0.8190  0.6887  1.0
  O  O13  1  0.7508  0.1712  0.3066  1.0
  O  O14  1  0.7562  0.5979  0.6135  1.0
  O  O15  1  0.7642  0.7966  0.0598  1.0
]