data_[Sn12Pb12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2260]
_cell_length_b [9.5776]
_cell_length_c [11.7095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn3Pb3Au]
_chemical_formula_sum '[Sn12 Pb12 Au4]'
_cell_volume [804.9528]
_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
[
  Sn  Sn0  8  0.2409  0.1916  0.2584  1
  Sn  Sn1  4  0.1370  0.0000  0.8184  1
  Pb  Pb2  4  0.0000  0.1766  0.5000  1
  Pb  Pb3  4  0.0000  0.3019  0.0000  1
  Pb  Pb4  4  0.0909  0.5000  0.3795  1
  Au  Au5  4  0.2048  0.0000  0.0625  1
]