data_[I2Cl8]
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 [P2/c]
_cell_length_a [7.2061]
_cell_length_b [7.6586]
_cell_length_c [7.7044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [ICl4]
_chemical_formula_sum '[I2 Cl8]'
_cell_volume [377.6291]
_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
[
  I  I0  2  0.0000  0.1333  0.7500  1.0
  Cl  Cl1  4  0.2269  0.1009  0.4799  1.0
  Cl  Cl2  4  0.2321  0.3558  0.9644  1.0
]