data_[In8I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pba2]
_cell_length_a [9.1243]
_cell_length_b [10.7478]
_cell_length_c [21.7554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [32]
_chemical_formula_structural [In4I7]
_chemical_formula_sum '[In8 I14]'
_cell_volume [2133.4719]
_cell_formula_units_Z [2]
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  4  0.1731  0.7329  0.5227  1
  In  In1  2  0.0000  0.0000  0.3394  1
  In  In2  2  0.0000  0.5000  0.3354  1
  I  I3  4  0.0902  0.2491  0.6434  1
  I  I4  4  0.2432  0.5032  0.6459  1
  I  I5  4  0.2474  0.2520  0.3583  1
  I  I6  2  0.0000  0.0000  0.4844  1
]