data_[K6In8I16]
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/m]
_cell_length_a [14.1468]
_cell_length_b [14.1294]
_cell_length_c [9.9595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(InI2)4]
_chemical_formula_sum '[K6 In8 I16]'
_cell_volume [1414.0190]
_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  4  0.2500  0.2500  0.0000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  In  In2  4  0.2500  0.2500  0.5000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  In  In4  2  0.0000  0.0000  0.5000  1.0
  I  I5  4  0.0000  0.2269  0.0000  1.0
  I  I6  4  0.0000  0.2493  0.5000  1.0
  I  I7  4  0.2247  0.0000  0.9976  1.0
  I  I8  4  0.2265  0.0000  0.4547  1.0
]