data_[Sn7Pb8]
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 [P6mm]
_cell_length_a [8.8581]
_cell_length_b [8.8581]
_cell_length_c [20.2080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Sn7Pb8]
_chemical_formula_sum '[Sn7 Pb8]'
_cell_volume [1373.1977]
_cell_formula_units_Z [1]
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  0.1988  0.3975  0.5488  1
  Sn  Sn1  1  0.0000  0.0000  0.4903  1
  Pb  Pb2  6  0.2096  0.4192  0.4002  1
  Pb  Pb3  2  0.3333  0.6667  0.6579  1
]