data_ICl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ICl2
_chemical_formula_sum   'I2 Cl4'
_cell_volume   275.67
_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  1  0.0  0.0  0.0  1.0
  I  I1  1  0.98  0.98  0.18  1.0
  Cl  Cl2  1  0.84  0.84  0.0  1.0
  Cl  Cl3  1  0.12  0.12  0.0  1.0
  Cl  Cl4  1  0.14  0.82  0.18  1.0
  Cl  Cl5  1  0.82  0.14  0.18  1.0

data_ICl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   11.26
_cell_length_b   11.26
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ICl2
_chemical_formula_sum   'I4 Cl8'
_cell_volume   551.34
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  I  I1  2  0.48  0.5  0.18  1.0
  Cl  Cl2  4  0.48  0.34  0.18  1.0
  Cl  Cl3  2  0.12  0.0  -0.0  1.0
  Cl  Cl4  2  0.34  0.5  -0.0  1.0

I I Cl Cl Cl Cl