data_[I8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [13.7599]
_cell_length_b [13.7599]
_cell_length_c [4.8573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [ICl]
_chemical_formula_sum '[I8 Cl8]'
_cell_volume [919.6488]
_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
[
  I  I0  4  0.0706  0.8137  0.0000  1.0
  I  I1  4  0.3026  0.4722  0.5000  1.0
  Cl  Cl2  4  0.1085  0.2426  0.0000  1.0
  Cl  Cl3  4  0.2878  0.6600  0.5000  1.0
]