data_[K6In2I12]
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 [P2_1/c]
_cell_length_a [8.4092]
_cell_length_b [9.0240]
_cell_length_c [14.3652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3InI6]
_chemical_formula_sum '[K6 In2 I12]'
_cell_volume [910.7722]
_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  0.2960  0.5854  0.2607  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.0911  0.5554  0.7275  1.0
  I  I4  4  0.2377  0.2229  0.5770  1.0
  I  I5  4  0.3405  0.6740  0.5541  1.0
]