data_[Ba4H4O6]
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 [C2/m]
_cell_length_a [13.5114]
_cell_length_b [3.7922]
_cell_length_c [4.3616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2H2O3]
_chemical_formula_sum '[Ba4 H4 O6]'
_cell_volume [221.7919]
_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  0.1335  0.5000  0.2160  1
  H  H1  4  0.0961  0.0000  0.7704  1
  O  O2  4  0.1657  0.0000  0.7054  1
  O  O3  2  0.0000  0.0000  0.0000  1
]