data_[K8In8I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [24.1894]
_cell_length_b [8.6329]
_cell_length_c [8.6396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [K2In2I5]
_chemical_formula_sum '[K8 In8 I20]'
_cell_volume [1804.1584]
_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  8  0.1089  0.5198  0.9805  1.0
  In  In1  4  0.0000  0.0000  0.0389  1.0
  In  In2  4  0.2500  0.0383  0.9308  1.0
  I  I3  8  0.0209  0.2425  0.7827  1.0
  I  I4  8  0.1268  0.5818  0.5602  1.0
  I  I5  4  0.2500  0.1046  0.5475  1.0
]