data_[K12Pb20Au8]
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 [Ibam]
_cell_length_a [12.8619]
_cell_length_b [14.8041]
_cell_length_c [7.5544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [K3Pb5Au2]
_chemical_formula_sum '[K12 Pb20 Au8]'
_cell_volume [1438.4281]
_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  0.2379  0.3704  0.0000  1.0
  K  K1  4  0.0000  0.0000  0.2500  1.0
  Pb  Pb2  8  0.0000  0.2485  0.2500  1.0
  Pb  Pb3  8  0.1470  0.3719  0.5000  1.0
  Pb  Pb4  4  0.0000  0.5000  0.2500  1.0
  Au  Au5  8  0.1346  0.1530  0.0000  1.0
]