data_[Cs2K2Fe2Cl8]
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 [P2_1/m]
_cell_length_a [7.2675]
_cell_length_b [7.3620]
_cell_length_c [9.4561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsKFeCl4]
_chemical_formula_sum '[Cs2 K2 Fe2 Cl8]'
_cell_volume [479.8520]
_cell_formula_units_Z [2]
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  2  0.2814  0.2500  0.0716  1.0
  K  K1  2  0.2188  0.2500  0.5479  1.0
  Fe  Fe2  2  0.2243  0.7500  0.3136  1.0
  Cl  Cl3  4  0.0105  0.5058  0.2636  1.0
  Cl  Cl4  2  0.4024  0.7500  0.5574  1.0
  Cl  Cl5  2  0.4068  0.7500  0.1566  1.0
]