data_[Cs1Ce1Cd2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.8313]
_cell_length_b [8.8313]
_cell_length_c [10.4194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CsCe(CdI4)2]
_chemical_formula_sum '[Cs1 Ce1 Cd2 I8]'
_cell_volume [703.7592]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.3333  0.6667  0.2991  1.0
  I  I3  6  0.1605  0.3210  0.1879  1.0
  I  I4  2  0.3333  0.6667  0.5582  1.0
]