data_[Cs4Na4Fe8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4551]
_cell_length_b [14.1720]
_cell_length_c [8.3426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsNa(FeI3)2]
_chemical_formula_sum '[Cs4 Na4 Fe8 I24]'
_cell_volume [1750.1172]
_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  0.1898  0.2500  1.0
  Na  Na1  4  0.0000  0.3970  0.7500  1.0
  Fe  Fe2  8  0.2120  0.0860  0.7641  1.0
  I  I3  8  0.1121  0.4252  0.1426  1.0
  I  I4  8  0.1408  0.0303  0.0083  1.0
  I  I5  8  0.1565  0.2570  0.6863  1.0
]