data_[K4Sn4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.0975]
_cell_length_b [9.3833]
_cell_length_c [11.9180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KSnI5]
_chemical_formula_sum '[K4 Sn4 I20]'
_cell_volume [1548.9153]
_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
[
  K  K0  4  0.0000  0.4567  0.7500  1.0
  Sn  Sn1  4  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0778  0.3019  0.5404  1.0
  I  I3  8  0.1890  0.8886  0.7047  1.0
  I  I4  4  0.0000  0.0828  0.7500  1.0
]