data_[K2Fe4Sn2I16]
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
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3515]
_cell_length_b [8.5519]
_cell_length_c [10.4583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KFe2SnI8]
_chemical_formula_sum '[K2 Fe4 Sn2 I16]'
_cell_volume [1100.9944]
_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  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.1202  0.5000  0.7755  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0104  0.2577  0.2244  1.0
  I  I4  4  0.2110  0.5000  0.5664  1.0
  I  I5  4  0.2420  0.5000  0.9877  1.0
]