data_[Sn4Pb16Au4]
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/c]
_cell_length_a [9.3498]
_cell_length_b [13.7398]
_cell_length_c [5.8439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SnPb4Au]
_chemical_formula_sum '[Sn4 Pb16 Au4]'
_cell_volume [717.0779]
_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  4  0.0000  0.3793  0.2500  1.0
  Pb  Pb1  8  0.1216  0.1804  0.5815  1.0
  Pb  Pb2  8  0.2086  0.4203  0.8512  1.0
  Au  Au3  4  0.0000  0.0125  0.2500  1.0
]