data_[K16Tl4Au4]
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 [C2/m]
_cell_length_a [7.5622]
_cell_length_b [11.2708]
_cell_length_c [12.6196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K4TlAu]
_chemical_formula_sum '[K16 Tl4 Au4]'
_cell_volume [1075.5664]
_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  0.2431  0.1821  0.2841  1.0
  K  K1  4  0.0000  0.3264  0.0000  1.0
  K  K2  4  0.2446  0.0000  0.5855  1.0
  Tl  Tl3  4  0.0731  0.0000  0.8902  1.0
  Au  Au4  4  0.0000  0.2540  0.5000  1.0
]