data_[K4Cd4Sn4I20]
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
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4900]
_cell_length_b [13.7677]
_cell_length_c [11.5628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCdSnI5]
_chemical_formula_sum '[K4 Cd4 Sn4 I20]'
_cell_volume [1524.7713]
_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  0.3480  0.7500  1.0
  Cd  Cd1  4  0.0000  0.3188  0.2500  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.1287  0.2094  0.1195  1.0
  I  I4  8  0.1798  0.4432  0.4465  1.0
  I  I5  4  0.0000  0.0897  0.7500  1.0
]