data_[K4Cd2Cu2I12]
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 [Cm]
_cell_length_a [13.2821]
_cell_length_b [7.7366]
_cell_length_c [9.4207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2CdCuI6]
_chemical_formula_sum '[K4 Cd2 Cu2 I12]'
_cell_volume [858.1580]
_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  2  0.0273  0.0000  0.8910  1.0
  K  K1  2  0.0995  0.5000  0.4625  1.0
  Cd  Cd2  2  0.3302  0.5000  0.2749  1.0
  Cu  Cu3  2  0.2968  0.0000  0.6606  1.0
  I  I4  4  0.2525  0.7646  0.8191  1.0
  I  I5  4  0.3781  0.2402  0.5302  1.0
  I  I6  2  0.0407  0.0000  0.2855  1.0
  I  I7  2  0.1026  0.5000  0.0743  1.0
]