data_[Pb13Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3107]
_cell_length_b [7.9175]
_cell_length_c [9.7739]
_cell_angle_alpha [70.2195]
_cell_angle_beta [78.3969]
_cell_angle_gamma [82.4222]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pb13Au2]
_chemical_formula_sum '[Pb13 Au2]'
_cell_volume [449.0622]
_cell_formula_units_Z [1]
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
[
  Pb  Pb0  2  0.0481  0.4187  0.7080  1.0
  Pb  Pb1  2  0.2382  0.0014  0.6296  1.0
  Pb  Pb2  2  0.2412  0.1752  0.2128  1.0
  Pb  Pb3  2  0.2451  0.6093  0.9401  1.0
  Pb  Pb4  2  0.4403  0.3888  0.3967  1.0
  Pb  Pb5  2  0.4915  0.8009  0.1419  1.0
  Pb  Pb6  1  0.0000  0.0000  0.0000  1.0
  Au  Au7  2  0.1771  0.7736  0.4445  1.0
]