data_[K4Cd8I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.6177]
_cell_length_b [18.6782]
_cell_length_c [13.8866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KCd2I5]
_chemical_formula_sum '[K4 Cd8 I20]'
_cell_volume [1716.4876]
_cell_formula_units_Z [4]
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  0.0000  0.0842  0.2500  1
  Cd  Cd1  8  0.0000  0.2162  0.5941  1
  I  I2  8  0.0000  0.0708  0.5951  1
  I  I3  8  0.0000  0.2725  0.0943  1
  I  I4  4  0.0000  0.3199  0.7500  1
]