data_[Cs4Li4Fe8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  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 [15.7511]
_cell_length_b [15.5023]
_cell_length_c [7.9792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLi(FeI3)2]
_chemical_formula_sum '[Cs4 Li4 Fe8 I24]'
_cell_volume [1847.9956]
_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  0.1802  0.2500  1.0
  Li  Li1  4  0.0000  0.4788  0.7500  1.0
  Fe  Fe2  8  0.2252  0.0860  0.7976  1.0
  I  I3  8  0.0959  0.4103  0.0912  1.0
  I  I4  8  0.1571  0.0326  0.0500  1.0
  I  I5  8  0.1650  0.2368  0.7001  1.0
]