data_[K8In8Cl20]
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 [Ima2]
_cell_length_a [21.7564]
_cell_length_b [7.5931]
_cell_length_c [7.6611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [K2In2Cl5]
_chemical_formula_sum '[K8 In8 Cl20]'
_cell_volume [1265.5971]
_cell_formula_units_Z [4]
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  8  0.1115  0.5110  0.9838  1.0
  In  In1  4  0.0000  0.0000  0.0335  1.0
  In  In2  4  0.2500  0.0193  0.9318  1.0
  Cl  Cl3  8  0.0211  0.2425  0.7792  1.0
  Cl  Cl4  8  0.1233  0.5844  0.5665  1.0
  Cl  Cl5  4  0.2500  0.1204  0.5398  1.0
]