data_[K8In4Sn4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7983]
_cell_length_b [21.0367]
_cell_length_c [16.8292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2InSnI5]
_chemical_formula_sum '[K8 In4 Sn4 I20]'
_cell_volume [1698.7267]
_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  0.0692  0.6391  1.0
  K  K1  4  0.0000  0.1226  0.3036  1.0
  In  In2  4  0.0000  0.4363  0.4463  1.0
  Sn  Sn3  4  0.0000  0.2473  0.0363  1.0
  I  I4  4  0.0000  0.1002  0.0804  1.0
  I  I5  4  0.0000  0.2369  0.6655  1.0
  I  I6  4  0.0000  0.2750  0.4066  1.0
  I  I7  4  0.0000  0.3956  0.9857  1.0
  I  I8  4  0.0000  0.4985  0.7606  1.0
]