data_[Cs4Ba4Cd4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1175]
_cell_length_b [14.7364]
_cell_length_c [12.0569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsBaCdI5]
_chemical_formula_sum '[Cs4 Ba4 Cd4 I20]'
_cell_volume [1803.5229]
_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  4  0.0000  0.3554  0.7500  1.0
  Ba  Ba1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.3163  0.2500  1.0
  I  I3  8  0.1244  0.2133  0.1287  1.0
  I  I4  8  0.1737  0.4298  0.4392  1.0
  I  I5  4  0.0000  0.1000  0.7500  1.0
]