data_[Sn16Sb16Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.2137]
_cell_length_b [15.1858]
_cell_length_c [16.8278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [SnSbPb]
_chemical_formula_sum '[Sn16 Sb16 Pb16]'
_cell_volume [1587.8707]
_cell_formula_units_Z [16]
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  0.0000  0.0000  0.2421  1
  Sn  Sn1  8  0.0000  0.0951  0.0000  1
  Sb  Sb2  16  0.0000  0.1739  0.1544  1
  Pb  Pb3  16  0.0000  0.1233  0.3998  1
]