data_[Ba4H16I8O8]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2802]
_cell_length_b [7.6258]
_cell_length_c [8.7544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaH4(IO)2]
_chemical_formula_sum '[Ba4 H16 I8 O8]'
_cell_volume [695.1502]
_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  4  0.0000  0.3994  0.7500  1.0
  H  H1  8  0.0711  0.2079  0.1251  1.0
  H  H2  8  0.0784  0.2064  0.4486  1.0
  I  I3  8  0.2103  0.0159  0.8521  1.0
  O  O4  8  0.0041  0.2805  0.4406  1.0
]