data_[Cs12Cd4I24]
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 [Cmc2_1]
_cell_length_a [16.5504]
_cell_length_b [21.2796]
_cell_length_c [6.8867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs3CdI6]
_chemical_formula_sum '[Cs12 Cd4 I24]'
_cell_volume [2425.3976]
_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  0.1828  0.1201  0.9800  1.0
  Cs  Cs1  4  0.0000  0.3819  0.9513  1.0
  Cd  Cd2  4  0.0000  0.2059  0.5472  1.0
  I  I3  8  0.1441  0.2690  0.6569  1.0
  I  I4  8  0.1613  0.4984  0.2184  1.0
  I  I5  4  0.0000  0.0767  0.6388  1.0
  I  I6  4  0.0000  0.2136  0.1374  1.0
]