data_[K4Cd6I16]
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 [17.1178]
_cell_length_b [8.8827]
_cell_length_c [7.8084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cd3I8]
_chemical_formula_sum '[K4 Cd6 I16]'
_cell_volume [1133.5123]
_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  4  0.2393  0.5000  0.6676  1.0
  Cd  Cd1  4  0.0000  0.2576  0.0000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.5000  1.0
  I  I3  8  0.1008  0.2365  0.3928  1.0
  I  I4  4  0.1028  0.0000  0.9031  1.0
  I  I5  4  0.1117  0.5000  0.9507  1.0
]