data_[K12Pb4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7714]
_cell_length_b [20.0372]
_cell_length_c [8.6298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K3PbAu5]
_chemical_formula_sum '[K12 Pb4 Au20]'
_cell_volume [997.9645]
_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  0.0000  0.0857  0.8765  1.0
  K  K1  4  0.0000  0.2500  0.1255  1.0
  Pb  Pb2  4  0.0000  0.2500  0.6676  1.0
  Au  Au3  8  0.0000  0.1439  0.4625  1.0
  Au  Au4  8  0.2500  0.0652  0.2500  1.0
  Au  Au5  4  0.0000  0.0000  0.5000  1.0
]