data_[K6Tl8Cl16]
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 [C2/m]
_cell_length_a [12.8531]
_cell_length_b [12.8727]
_cell_length_c [9.0602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(TlCl2)4]
_chemical_formula_sum '[K6 Tl8 Cl16]'
_cell_volume [1064.6312]
_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  4  0.2500  0.2500  0.0000  1.0
  K  K1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.5000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  4  0.0000  0.2260  0.0000  1.0
  Cl  Cl6  4  0.0000  0.2470  0.5000  1.0
  Cl  Cl7  4  0.2233  0.0000  0.4522  1.0
  Cl  Cl8  4  0.2237  0.0000  0.9956  1.0
]