data_[K2In4Cl6]
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 [Pmc2_1]
_cell_length_a [4.1710]
_cell_length_b [11.0537]
_cell_length_c [8.3767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [KIn2Cl3]
_chemical_formula_sum '[K2 In4 Cl6]'
_cell_volume [386.2066]
_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  2  0.0000  0.1126  0.9770  1.0
  In  In1  2  0.0000  0.2618  0.5045  1.0
  In  In2  2  0.5000  0.4820  0.0393  1.0
  Cl  Cl3  2  0.0000  0.3838  0.8386  1.0
  Cl  Cl4  2  0.5000  0.0885  0.6509  1.0
  Cl  Cl5  2  0.5000  0.2636  0.1910  1.0
]