data_[Ba8H16O16]
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/c]
_cell_length_a [6.8911]
_cell_length_b [8.1005]
_cell_length_c [11.0035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba(HO)2]
_chemical_formula_sum '[Ba8 H16 O16]'
_cell_volume [516.8167]
_cell_formula_units_Z [8]
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  0.0321  0.0263  0.3269  1
  Ba  Ba1  4  0.3456  0.6313  0.5983  1
  H  H2  4  0.2022  0.1674  0.9747  1
  H  H3  4  0.2502  0.1911  0.1846  1
  H  H4  4  0.4406  0.7332  0.3969  1
  H  H5  4  0.4651  0.0347  0.6158  1
  O  O6  4  0.1005  0.1592  0.1013  1
  O  O7  4  0.2729  0.1547  0.9169  1
  O  O8  4  0.2880  0.7221  0.8238  1
  O  O9  4  0.3616  0.5364  0.1286  1
]