data_Sn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Pb
_chemical_formula_sum   'Sn4 Pb2'
_cell_volume   175.37
_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  Sn2  1  0.46  0.2  0.69  1.0
  Sn  Sn3  1  0.46  0.8  0.23  1.0
  Sn  Sn4  1  0.46  0.37  0.69  1.0
  Sn  Sn5  1  0.46  0.63  0.23  1.0
  Pb  Pb0  1  0.46  0.97  0.69  1.0
  Pb  Pb1  1  0.46  0.03  0.23  1.0

data_Sn2Pb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.65
_cell_angle_alpha   108.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sn2Pb
_chemical_formula_sum   'Sn4 Pb2'
_cell_volume   175.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.23  0.63  0.63  1.0
  Sn  Sn1  2  0.23  0.8  0.8  1.0
  Pb  Pb2  2  0.23  0.03  0.03  1.0

Sn Sn Sn Sn Pb Pb
Sn Sn Sn Sn Pb Pb 0 2 o o o 0 4 o - o 1 3 o o o 1 5 o + o 