data_[H8I8]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [13.4994]
_cell_length_b [4.4964]
_cell_length_c [8.8656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HI]
_chemical_formula_sum '[H8 I8]'
_cell_volume [527.0186]
_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
[
  H  H0  4  0.0750  0.6778  0.6988  1
  H  H1  4  0.4341  0.1311  0.5820  1
  I  I2  4  0.1494  0.6259  0.1123  1
  I  I3  4  0.3523  0.2276  0.9380  1
]