data_[Sn6Pb2Au8]
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 [11.5980]
_cell_length_b [8.4367]
_cell_length_c [3.9920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn3PbAu4]
_chemical_formula_sum '[Sn6 Pb2 Au8]'
_cell_volume [389.3306]
_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  4  0.2500  0.2500  0.5000  1
  Sn  Sn1  2  0.0000  0.5000  0.0000  1
  Pb  Pb2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0000  0.2622  0.5000  1
  Au  Au4  4  0.2437  0.5000  0.9984  1
]