data_[K8Pb16Au12]
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 [Fmmm]
_cell_length_a [6.2600]
_cell_length_b [11.3814]
_cell_length_c [15.0851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [K2Pb4Au3]
_chemical_formula_sum '[K8 Pb16 Au12]'
_cell_volume [1074.7897]
_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  0.0000  0.3784  1.0
  Pb  Pb1  16  0.0000  0.1690  0.1544  1.0
  Au  Au2  8  0.2500  0.2500  0.0000  1.0
  Au  Au3  4  0.0000  0.0000  0.0000  1.0
]