data_[Cs4K4Zn8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9756]
_cell_length_b [15.6460]
_cell_length_c [13.7958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsK(ZnI3)2]
_chemical_formula_sum '[Cs4 K4 Zn8 I24]'
_cell_volume [2188.3958]
_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  0.1753  0.7500  1.0
  K  K1  4  0.0000  0.2856  0.2500  1.0
  Zn  Zn2  8  0.1716  0.4294  0.8288  1.0
  I  I3  8  0.0427  0.4059  0.6200  1.0
  I  I4  8  0.1581  0.1938  0.0955  1.0
  I  I5  8  0.2317  0.0816  0.6180  1.0
]