data_[Ba20As8H4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6807]
_cell_length_b [18.8230]
_cell_length_c [12.9903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5As2HO]
_chemical_formula_sum '[Ba20 As8 H4 O4]'
_cell_volume [1144.5055]
_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  0.0470  0.0411  1.0
  Ba  Ba1  4  0.0000  0.2941  0.6640  1.0
  Ba  Ba2  4  0.0000  0.3134  0.3583  1.0
  Ba  Ba3  4  0.0000  0.3486  0.9996  1.0
  Ba  Ba4  4  0.0000  0.4944  0.2875  1.0
  As  As5  4  0.0000  0.1185  0.6865  1.0
  As  As6  4  0.0000  0.1241  0.3030  1.0
  H  H7  4  0.0000  0.2038  0.0188  1.0
  O  O8  4  0.0000  0.4327  0.4650  1.0
]