data_[I2Cl16F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4974]
_cell_length_b [6.9151]
_cell_length_c [7.4486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [I(Cl4F)2]
_chemical_formula_sum '[I2 Cl16 F4]'
_cell_volume [776.5986]
_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  0.5000  0.0000  1
  Cl  Cl1  4  0.0764  0.0000  0.6528  1
  Cl  Cl2  4  0.1276  0.0000  0.9254  1
  Cl  Cl3  4  0.1560  0.5000  0.1908  1
  Cl  Cl4  4  0.1787  0.5000  0.5158  1
  F  F5  4  0.2048  0.5000  0.7583  1
]