data_[K8Tl4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5646]
_cell_length_b [10.2254]
_cell_length_c [7.5301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [K2TlCl5]
_chemical_formula_sum '[K8 Tl4 Cl20]'
_cell_volume [967.4496]
_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  0.1706  0.0061  0.3882  1
  Tl  Tl1  4  0.0316  0.2500  0.9963  1
  Cl  Cl2  8  0.0716  0.0554  0.7937  1
  Cl  Cl3  4  0.0060  0.2500  0.3330  1
  Cl  Cl4  4  0.1679  0.7500  0.0924  1
  Cl  Cl5  4  0.2344  0.2500  0.0949  1
]