data_[Ba4H8Cl8O28]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8790]
_cell_length_b [8.0319]
_cell_length_c [9.0581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.0028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaH2Cl2O7]
_chemical_formula_sum '[Ba4 H8 Cl8 O28]'
_cell_volume [696.2930]
_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  0.3552  0.7500  1
  H  H1  8  0.0420  0.2358  0.3657  1
  Cl  Cl2  8  0.1946  0.0185  0.1891  1
  O  O3  8  0.1143  0.1431  0.6114  1
  O  O4  8  0.1543  0.4763  0.1399  1
  O  O5  8  0.1904  0.0871  0.0293  1
  O  O6  4  0.0000  0.3074  0.2500  1
]