data_[K4Fe2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.1460]
_cell_length_b [7.2669]
_cell_length_c [8.7880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K2FeCl4]
_chemical_formula_sum '[K4 Fe2 Cl8]'
_cell_volume [432.9611]
_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
[
  K  K0  2  0.2303  0.2500  0.4318  1.0
  K  K1  2  0.2920  0.2500  0.9511  1.0
  Fe  Fe2  2  0.2616  0.7500  0.1988  1.0
  Cl  Cl3  4  0.4826  0.5051  0.2581  1.0
  Cl  Cl4  2  0.0730  0.7500  0.3651  1.0
  Cl  Cl5  2  0.0929  0.7500  0.9311  1.0
]