data_[K16Tl8Au24]
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 [Fmmm]
_cell_length_a [8.9869]
_cell_length_b [9.7847]
_cell_length_c [16.7125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [K2TlAu3]
_chemical_formula_sum '[K16 Tl8 Au24]'
_cell_volume [1469.5996]
_cell_formula_units_Z [8]
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  0.2417  0.0000  0.0000  1
  K  K1  8  0.2500  0.2500  0.2500  1
  Tl  Tl2  8  0.0000  0.0000  0.3344  1
  Au  Au3  16  0.0000  0.2452  0.0826  1
  Au  Au4  8  0.0000  0.0000  0.1638  1
]