data_[K2In2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6103]
_cell_length_b [8.8689]
_cell_length_c [9.1815]
_cell_angle_alpha [62.7208]
_cell_angle_beta [85.0257]
_cell_angle_gamma [88.6947]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KInCl3]
_chemical_formula_sum '[K2 In2 Cl6]'
_cell_volume [332.3480]
_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  1  0.5861  0.2949  0.8686  1.0
  K  K1  1  0.9870  0.8100  0.3769  1.0
  In  In2  1  0.5575  0.8448  0.8486  1.0
  In  In3  1  0.7590  0.3638  0.2839  1.0
  Cl  Cl4  1  0.0324  0.4763  0.0193  1.0
  Cl  Cl5  1  0.0893  0.0137  0.9729  1.0
  Cl  Cl6  1  0.4563  0.6761  0.6383  1.0
  Cl  Cl7  1  0.4933  0.6127  0.2533  1.0
  Cl  Cl8  1  0.5045  0.1292  0.2841  1.0
  Cl  Cl9  1  0.9579  0.2567  0.5430  1.0
]