data_[K4Fe2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9353]
_cell_length_b [8.3412]
_cell_length_c [9.8305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K2FeI4]
_chemical_formula_sum '[K4 Fe2 I8]'
_cell_volume [618.4043]
_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  0.2182  0.7500  0.5512  1.0
  K  K1  2  0.2577  0.7500  0.0674  1.0
  Fe  Fe2  2  0.2261  0.2500  0.3012  1.0
  I  I3  4  0.0041  0.0009  0.2411  1.0
  I  I4  2  0.4016  0.2500  0.5745  1.0
  I  I5  2  0.4188  0.2500  0.1277  1.0
]