data_[K8Tl8Cl20]
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 [Ima2]
_cell_length_a [21.6944]
_cell_length_b [7.8316]
_cell_length_c [7.7647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [K2Tl2Cl5]
_chemical_formula_sum '[K8 Tl8 Cl20]'
_cell_volume [1319.2438]
_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  0.1125  0.5085  0.0198  1.0
  Tl  Tl1  4  0.0000  0.0000  0.9752  1.0
  Tl  Tl2  4  0.2500  0.0303  0.0564  1.0
  Cl  Cl3  8  0.0294  0.2365  0.2347  1.0
  Cl  Cl4  8  0.1245  0.6062  0.4229  1.0
  Cl  Cl5  4  0.2500  0.0999  0.4497  1.0
]