data_[K8Cd4I20]
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 [6.7212]
_cell_length_b [17.3437]
_cell_length_c [13.4759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K2CdI5]
_chemical_formula_sum '[K8 Cd4 I20]'
_cell_volume [1570.8775]
_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  8  0.0000  0.1684  0.5891  1
  Cd  Cd1  4  0.0000  0.1808  0.2500  1
  I  I2  8  0.0000  0.0297  0.1219  1
  I  I3  8  0.0000  0.2977  0.0986  1
  I  I4  4  0.0000  0.3247  0.7500  1
]