data_[K6I2Cl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [15.6206]
_cell_length_b [7.8024]
_cell_length_c [4.7156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3I(ClF3)2]
_chemical_formula_sum '[K6 I2 Cl4 F12]'
_cell_volume [574.5026]
_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
[
  K  K0  4  0.2500  0.2500  0.5000  1
  K  K1  2  0.0000  0.5000  0.0000  1
  I  I2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  4  0.1928  0.5000  0.9714  1
  F  F4  8  0.0497  0.1895  0.2646  1
  F  F5  4  0.1135  0.0000  0.7112  1
]