data_[K8Cd4Cu4I20]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5278]
_cell_length_b [20.6580]
_cell_length_c [14.8700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2CdCuI5]
_chemical_formula_sum '[K8 Cd4 Cu4 I20]'
_cell_volume [1390.8552]
_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  0.3761  0.8295  1.0
  K  K1  4  0.0000  0.3802  0.2017  1.0
  Cd  Cd2  4  0.0000  0.2934  0.5266  1.0
  Cu  Cu3  4  0.0000  0.0649  0.9198  1.0
  I  I4  4  0.0000  0.0001  0.2728  1.0
  I  I5  4  0.0000  0.1521  0.5157  1.0
  I  I6  4  0.0000  0.1973  0.8792  1.0
  I  I7  4  0.0000  0.2057  0.1651  1.0
  I  I8  4  0.0000  0.4376  0.5137  1.0
]