data_[Sn12Bi4Pb24]
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 [Cmc2_1]
_cell_length_a [10.2783]
_cell_length_b [20.4792]
_cell_length_c [6.0844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sn3BiPb6]
_chemical_formula_sum '[Sn12 Bi4 Pb24]'
_cell_volume [1280.7141]
_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  0.1581  0.0987  0.4473  1.0
  Sn  Sn1  4  0.0000  0.3992  0.1127  1.0
  Bi  Bi2  4  0.0000  0.2125  0.1833  1.0
  Pb  Pb3  8  0.1721  0.5443  0.0393  1.0
  Pb  Pb4  8  0.2404  0.2005  0.8257  1.0
  Pb  Pb5  4  0.0000  0.0572  0.9078  1.0
  Pb  Pb6  4  0.0000  0.3126  0.6569  1.0
]