data_[Sn6Pb6]
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
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1930]
_cell_length_b [12.8511]
_cell_length_c [6.9348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [SnPb]
_chemical_formula_sum '[Sn6 Pb6]'
_cell_volume [373.6795]
_cell_formula_units_Z [6]
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  0.1413  0.6534  1.0
  Sn  Sn1  2  0.0000  0.5000  0.9223  1.0
  Pb  Pb2  4  0.0000  0.1632  0.1773  1.0
  Pb  Pb3  2  0.0000  0.5000  0.4182  1.0
]