data_[K4Rb4Fe8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [15.8101]
_cell_length_b [14.7733]
_cell_length_c [8.2970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KRb(FeI3)2]
_chemical_formula_sum '[K4 Rb4 Fe8 I24]'
_cell_volume [1873.9148]
_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
[
  Rb  Rb0  4  0.0000  0.1749  0.7500  1.0
  K  K1  4  0.0000  0.3982  0.2500  1.0
  Fe  Fe2  8  0.2107  0.0839  0.2504  1.0
  I  I3  8  0.1197  0.4082  0.6743  1.0
  I  I4  8  0.1454  0.0380  0.5118  1.0
  I  I5  8  0.1467  0.2417  0.1512  1.0
]