data_[Cs4Cd2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4675]
_cell_length_b [8.5966]
_cell_length_c [10.9659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2CdI4]
_chemical_formula_sum '[Cs4 Cd2 I8]'
_cell_volume [754.7947]
_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
[
  Cs  Cs0  2  0.2117  0.2500  0.0463  1.0
  Cs  Cs1  2  0.2815  0.2500  0.5769  1.0
  Cd  Cd2  2  0.2075  0.7500  0.7899  1.0
  I  I3  4  0.0129  0.5074  0.2715  1.0
  I  I4  2  0.3787  0.7500  0.0580  1.0
  I  I5  2  0.4161  0.7500  0.6355  1.0
]