data_[K6Tl8Au8]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6254]
_cell_length_b [5.0334]
_cell_length_c [29.8706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K3(TlAu)4]
_chemical_formula_sum '[K6 Tl8 Au8]'
_cell_volume [695.4323]
_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  0.0000  0.5000  0.1448  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.0000  0.2523  1.0
  Tl  Tl3  4  0.0000  0.5000  0.4049  1.0
  Au  Au4  4  0.0000  0.0000  0.4519  1.0
  Au  Au5  4  0.0000  0.5000  0.3112  1.0
]