data_[Cs4K4Fe8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9215]
_cell_length_b [13.6195]
_cell_length_c [7.3537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsK(FeCl3)2]
_chemical_formula_sum '[Cs4 K4 Fe8 Cl24]'
_cell_volume [1361.1061]
_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  0.1827  0.2500  1.0
  K  K1  4  0.0000  0.3986  0.7500  1.0
  Fe  Fe2  8  0.2151  0.0845  0.7700  1.0
  Cl  Cl3  8  0.1180  0.4140  0.1655  1.0
  Cl  Cl4  8  0.1475  0.2328  0.6911  1.0
  Cl  Cl5  8  0.1516  0.0225  0.0207  1.0
]