data_[In8H4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2138]
_cell_length_b [13.1917]
_cell_length_c [9.4293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2HI6]
_chemical_formula_sum '[In8 H4 I24]'
_cell_volume [1822.3282]
_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
[
  In  In0  8  0.1963  0.3953  0.2273  1
  H  H1  4  0.0000  0.2106  0.2500  1
  I  I2  8  0.1101  0.1959  0.1879  1
  I  I3  8  0.1203  0.1388  0.7031  1
  I  I4  8  0.1270  0.4989  0.9444  1
]