data_[K4Cd4I12]
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 [C2/m]
_cell_length_a [14.8456]
_cell_length_b [11.1983]
_cell_length_c [5.5174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCdI3]
_chemical_formula_sum '[K4 Cd4 I12]'
_cell_volume [917.1668]
_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  0.2191  0.0000  0.7766  1.0
  Cd  Cd1  4  0.0000  0.3195  0.0000  1.0
  I  I2  8  0.1341  0.8026  0.2545  1.0
  I  I3  4  0.1053  0.5000  0.7486  1.0
]