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 [P2_1/m]
_cell_length_a [6.4027]
_cell_length_b [4.2025]
_cell_length_c [7.2514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaH4O3]
_chemical_formula_sum '[Ba2 H8 O6]'
_cell_volume [180.0436]
_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  2  0.1365  0.2500  0.2828  1.0
  H  H1  4  0.3241  0.5586  0.6699  1.0
  H  H2  2  0.2428  0.2500  0.8529  1.0
  H  H3  2  0.3678  0.7500  0.1029  1.0
  O  O4  2  0.1901  0.2500  0.7074  1.0
  O  O5  2  0.2069  0.7500  0.0773  1.0
  O  O6  2  0.3878  0.7500  0.6225  1.0
]