data_[H4I8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [8.3645]
_cell_length_b [4.6203]
_cell_length_c [13.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HI2O]
_chemical_formula_sum '[H4 I8 O4]'
_cell_volume [491.2816]
_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
[
  H  H0  4  0.4833  0.1734  0.2663  1.0
  I  I1  4  0.0603  0.1214  0.1028  1.0
  I  I2  4  0.2615  0.0655  0.8324  1.0
  O  O3  4  0.4807  0.1264  0.7963  1.0
]