data_[In6I6]
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 [P2/c]
_cell_length_a [9.1030]
_cell_length_b [22.2063]
_cell_length_c [6.8692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [InI]
_chemical_formula_sum '[In6 I6]'
_cell_volume [1355.2207]
_cell_formula_units_Z [6]
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  0.1705  0.4200  0.1446  1
  In  In1  2  0.5000  0.3377  0.7500  1
  I  I2  4  0.2308  0.4348  0.6796  1
  I  I3  2  0.5000  0.3551  0.2500  1
]