data_[Cs9Sn6I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9451]
_cell_length_b [8.9451]
_cell_length_c [32.5717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3(SnI4)2]
_chemical_formula_sum '[Cs9 Sn6 I24]'
_cell_volume [2257.0539]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2056  1.0
  Cs  Cs1  3  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  6  0.0000  0.0000  0.4116  1.0
  I  I3  18  0.0363  0.5181  0.7703  1.0
  I  I4  6  0.0000  0.0000  0.3220  1.0
]