data_[Ba4H8O4]
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 [Cm]
_cell_length_a [5.7993]
_cell_length_b [5.7085]
_cell_length_c [7.0872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaH2O]
_chemical_formula_sum '[Ba4 H8 O4]'
_cell_volume [232.2886]
_cell_formula_units_Z [4]
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  0.4078  0.5000  0.3913  1
  Ba  Ba1  2  0.4934  0.0000  0.8770  1
  H  H2  4  0.2010  0.2463  0.6439  1
  H  H3  2  0.2797  0.0000  0.1772  1
  H  H4  2  0.4867  0.5000  0.8494  1
  O  O5  2  0.4202  0.0000  0.2731  1
  O  O6  2  0.4968  0.5000  0.9891  1
]