data_[Cs2Cd2Cu2I8]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5058]
_cell_length_b [8.7934]
_cell_length_c [11.1360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCdCuI4]
_chemical_formula_sum '[Cs2 Cd2 Cu2 I8]'
_cell_volume [610.9178]
_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  0.2028  0.2500  0.8758  1.0
  Cd  Cd1  2  0.3595  0.7500  0.6834  1.0
  Cu  Cu2  2  0.1901  0.2500  0.2971  1.0
  I  I3  4  0.3714  0.5108  0.2778  1.0
  I  I4  2  0.0357  0.2500  0.4937  1.0
  I  I5  2  0.1915  0.7500  0.8995  1.0
]