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 [8.3901]
_cell_length_b [9.0018]
_cell_length_c [14.3099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3InI6]
_chemical_formula_sum '[K6 In2 I12]'
_cell_volume [902.8063]
_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  0.2961  0.0854  0.7607  1
  K  K1  2  0.5000  0.0000  0.5000  1
  In  In2  2  0.0000  0.0000  0.0000  1
  I  I3  4  0.0910  0.0553  0.2275  1
  I  I4  4  0.2378  0.7230  0.0771  1
  I  I5  4  0.3405  0.1741  0.0542  1
]