data_[In16I8Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.3499]
_cell_length_b [15.0017]
_cell_length_c [17.7996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [In2ICl2]
_chemical_formula_sum '[In16 I8 Cl16]'
_cell_volume [1428.5621]
_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
[
  In  In0  16  0.0000  0.1219  0.5000  1
  I  I1  8  0.0000  0.0000  0.0000  1
  Cl  Cl2  16  0.0000  0.0000  0.3302  1
]