data_Sn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   20.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Pb
_chemical_formula_sum   'Sn16 Pb8'
_cell_volume   719.16
_cell_formula_units_Z   8
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  Sn8  1  0.0  0.7  0.71  1.0
  Sn  Sn9  1  0.21  0.85  0.5  1.0
  Sn  Sn10  1  0.21  0.85  0.61  1.0
  Sn  Sn11  1  0.0  0.7  0.6  1.0
  Sn  Sn12  1  0.6  0.78  0.1  1.0
  Sn  Sn13  1  0.21  0.0  0.1  1.0
  Sn  Sn14  1  0.4  0.78  0.1  1.0
  Sn  Sn15  1  0.6  0.78  0.0  1.0
  Sn  Sn16  1  0.21  0.0  0.0  1.0
  Sn  Sn17  1  0.4  0.78  0.0  1.0
  Sn  Sn18  1  0.32  0.67  0.16  1.0
  Sn  Sn19  1  0.0  0.76  0.16  1.0
  Sn  Sn20  1  0.68  0.67  0.16  1.0
  Sn  Sn21  1  0.89  0.88  0.05  1.0
  Sn  Sn22  1  0.21  0.79  0.05  1.0
  Sn  Sn23  1  0.52  0.88  0.05  1.0
  Pb  Pb0  1  0.0  0.0  0.89  1.0
  Pb  Pb1  1  0.0  0.0  0.31  1.0
  Pb  Pb2  1  0.0  0.0  0.79  1.0
  Pb  Pb3  1  0.0  0.0  0.42  1.0
  Pb  Pb4  1  0.0  0.7  0.96  1.0
  Pb  Pb5  1  0.21  0.85  0.25  1.0
  Pb  Pb6  1  0.21  0.85  0.06  1.0
  Pb  Pb7  1  0.0  0.7  0.15  1.0

data_Sn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   20.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Pb
_chemical_formula_sum   'Sn16 Pb8'
_cell_volume   719.16
_cell_formula_units_Z   8
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  1  -0.0  0.76  0.16  1.0
  Sn  Sn1  1  -0.0  0.7  0.6  1.0
  Sn  Sn2  1  -0.0  0.7  0.71  1.0
  Sn  Sn3  1  0.21  0.79  0.05  1.0
  Sn  Sn4  1  0.21  0.85  0.5  1.0
  Sn  Sn5  1  0.21  0.85  0.61  1.0
  Sn  Sn6  1  0.21  0.0  0.0  1.0
  Sn  Sn7  1  0.21  0.0  0.1  1.0
  Sn  Sn8  1  0.32  0.67  0.16  1.0
  Sn  Sn9  1  0.4  0.78  -0.0  1.0
  Sn  Sn10  1  0.4  0.78  0.1  1.0
  Sn  Sn11  1  0.52  0.88  0.05  1.0
  Sn  Sn12  1  0.6  0.78  -0.0  1.0
  Sn  Sn13  1  0.6  0.78  0.1  1.0
  Sn  Sn14  1  0.68  0.67  0.16  1.0
  Sn  Sn15  1  0.89  0.88  0.05  1.0
  Pb  Pb16  1  -0.0  0.7  0.15  1.0
  Pb  Pb17  1  -0.0  0.7  0.96  1.0
  Pb  Pb18  1  0.0  0.0  0.31  1.0
  Pb  Pb19  1  0.0  0.0  0.42  1.0
  Pb  Pb20  1  0.0  0.0  0.79  1.0
  Pb  Pb21  1  0.0  0.0  0.89  1.0
  Pb  Pb22  1  0.21  0.85  0.06  1.0
  Pb  Pb23  1  0.21  0.85  0.25  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Pb Pb Pb Pb Pb Pb Pb Pb