data_[K2Tl1Au1Cl6]
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
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0380]
_cell_length_b [7.1495]
_cell_length_c [7.6940]
_cell_angle_alpha [96.3462]
_cell_angle_beta [113.3720]
_cell_angle_gamma [114.5224]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2TlAuCl6]
_chemical_formula_sum '[K2 Tl1 Au1 Cl6]'
_cell_volume [305.2716]
_cell_formula_units_Z [1]
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  2  0.4699  0.2112  0.2234  1
  Tl  Tl1  1  0.0000  0.5000  0.0000  1
  Au  Au2  1  0.0000  0.0000  0.5000  1
  Cl  Cl3  2  0.0376  0.7905  0.8239  1
  Cl  Cl4  2  0.1498  0.8135  0.3764  1
  Cl  Cl5  2  0.4580  0.6608  0.1672  1
]