data_[Sn2Pb16Au4]
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 [13.9848]
_cell_length_b [9.0385]
_cell_length_c [5.7811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(Pb4Au)2]
_chemical_formula_sum '[Sn2 Pb16 Au4]'
_cell_volume [686.3305]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Pb  Pb1  8  0.1218  0.2976  0.9182  1
  Pb  Pb2  4  0.0958  0.5000  0.3805  1
  Pb  Pb3  4  0.1322  0.0000  0.5900  1
  Au  Au4  4  0.2203  0.0000  0.1844  1
]