data_[Sn6Pb14]
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 [P6_3mc]
_cell_length_a [10.7319]
_cell_length_b [10.7319]
_cell_length_c [6.5303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Sn3Pb7]
_chemical_formula_sum '[Sn6 Pb14]'
_cell_volume [651.3600]
_cell_formula_units_Z [2]
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  6  0.2005  0.4009  0.3576  1.0
  Pb  Pb1  6  0.0549  0.5274  0.6859  1.0
  Pb  Pb2  6  0.1112  0.2224  0.9153  1.0
  Pb  Pb3  2  0.3333  0.6667  0.0318  1.0
]