data_[Cs16K4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1409]
_cell_length_b [19.1127]
_cell_length_c [8.6742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs4KCd]
_chemical_formula_sum '[Cs16 K4 Cd4]'
_cell_volume [2057.1083]
_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
[
  Cs  Cs0  8  0.1066  0.1685  0.5610  1.0
  Cs  Cs1  8  0.2284  0.4176  0.8660  1.0
  K  K2  4  0.0000  0.3811  0.2500  1.0
  Cd  Cd3  4  0.0000  0.0017  0.2500  1.0
]