data_[Ag6Pb6Au45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.7329]
_cell_length_b [9.7329]
_cell_length_c [14.2669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ag2Pb2Au15]
_chemical_formula_sum '[Ag6 Pb6 Au45]'
_cell_volume [1170.4249]
_cell_formula_units_Z [3]
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
[
  Ag  Ag0  6  0.0000  0.0000  0.1003  1.0
  Pb  Pb1  6  0.0000  0.0000  0.3498  1.0
  Au  Au2  18  0.0000  0.3051  0.0000  1.0
  Au  Au3  18  0.0038  0.5019  0.1531  1.0
  Au  Au4  9  0.0000  0.5000  0.5000  1.0
]