data_[K8In4Cl20]
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 [Pnnm]
_cell_length_a [9.5849]
_cell_length_b [12.4081]
_cell_length_c [10.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [K2InCl5]
_chemical_formula_sum '[K8 In4 Cl20]'
_cell_volume [1219.7537]
_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  4  0.0000  0.0000  0.2528  1
  K  K1  4  0.1791  0.6589  0.0000  1
  In  In2  4  0.2419  0.7247  0.5000  1
  Cl  Cl3  8  0.1920  0.6242  0.3023  1
  Cl  Cl4  4  0.0060  0.1452  0.0000  1
  Cl  Cl5  4  0.0092  0.8296  0.5000  1
  Cl  Cl6  4  0.1465  0.4026  0.0000  1
]