data_[K4In8I24]
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 [C2/c]
_cell_length_a [16.7280]
_cell_length_b [14.4456]
_cell_length_c [9.3347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(InI3)2]
_chemical_formula_sum '[K4 In8 I24]'
_cell_volume [2083.8418]
_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  0.1232  0.7500  1.0
  In  In1  8  0.2141  0.4049  0.7177  1.0
  I  I2  8  0.1046  0.0811  0.1631  1.0
  I  I3  8  0.1436  0.4929  0.9263  1.0
  I  I4  8  0.1741  0.2163  0.6737  1.0
]