data_[Cs12Zn4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [16.3625]
_cell_length_b [21.2707]
_cell_length_c [6.8781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs3ZnI6]
_chemical_formula_sum '[Cs12 Zn4 I24]'
_cell_volume [2393.8570]
_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  0.1836  0.1234  0.0172  1.0
  Cs  Cs1  4  0.0000  0.3831  0.0436  1.0
  Zn  Zn2  4  0.0000  0.2079  0.4649  1.0
  I  I3  8  0.1356  0.2669  0.3499  1.0
  I  I4  8  0.1635  0.4986  0.7777  1.0
  I  I5  4  0.0000  0.0874  0.3691  1.0
  I  I6  4  0.0000  0.2162  0.8474  1.0
]