data_[Sn8Bi16Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1914]
_cell_length_b [12.6687]
_cell_length_c [6.2685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sn2Bi4Pb3]
_chemical_formula_sum '[Sn8 Bi16 Pb12]'
_cell_volume [1196.1645]
_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  8  0.2113  0.3883  0.4654  1.0
  Bi  Bi1  8  0.0865  0.1752  0.4691  1.0
  Bi  Bi2  8  0.1629  0.3610  0.9366  1.0
  Pb  Pb3  8  0.1211  0.0906  0.9780  1.0
  Pb  Pb4  4  0.0000  0.4487  0.2500  1.0
]