data_[Sn8Pb12]
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 [C2/m]
_cell_length_a [15.7217]
_cell_length_b [4.4270]
_cell_length_c [9.3556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn2Pb3]
_chemical_formula_sum '[Sn8 Pb12]'
_cell_volume [648.0965]
_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  0.1897  0.5000  0.4324  1.0
  Sn  Sn1  4  0.2437  0.0000  0.8808  1.0
  Pb  Pb2  4  0.0779  0.5000  0.8881  1.0
  Pb  Pb3  4  0.0885  0.0000  0.6083  1.0
  Pb  Pb4  4  0.0950  0.0000  0.1913  1.0
]