data_[Cs4Rb4Fe8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  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 [16.1341]
_cell_length_b [15.5274]
_cell_length_c [8.2917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsRb(FeI3)2]
_chemical_formula_sum '[Cs4 Rb4 Fe8 I24]'
_cell_volume [2024.1581]
_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  0.1711  0.7500  1.0
  Rb  Rb1  4  0.0000  0.3951  0.2500  1.0
  Fe  Fe2  8  0.2149  0.0822  0.2517  1.0
  I  I3  8  0.1192  0.4077  0.6864  1.0
  I  I4  8  0.1498  0.2318  0.1657  1.0
  I  I5  8  0.1527  0.0332  0.5160  1.0
]