data_[K2Ca1Cd1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [8.3055]
_cell_length_b [8.3055]
_cell_length_c [7.0055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [K2CaCdI6]
_chemical_formula_sum '[K2 Ca1 Cd1 I6]'
_cell_volume [483.2500]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.0243  1.0
  Ca  Ca1  1  0.5000  0.5000  0.6024  1.0
  Cd  Cd2  1  0.0000  0.0000  0.5792  1.0
  I  I3  4  0.2436  0.2436  0.7156  1.0
  I  I4  1  0.0000  0.0000  0.1840  1.0
  I  I5  1  0.5000  0.5000  0.1703  1.0
]