data_Al2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SnPb
_chemical_formula_sum   'Al2 Sn1 Pb1'
_cell_volume   96.73
_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
  Al  Al0  1  0.35  0.0  0.01  1.0
  Al  Al1  1  0.35  0.0  0.5  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.25  1.0

data_Al2SnPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al2SnPb
_chemical_formula_sum   'Al2 Sn1 Pb1'
_cell_volume   96.77
_cell_formula_units_Z   1
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
  Al  Al0  1  0.35  0.0  0.01  1.0
  Al  Al1  1  0.35  0.0  0.5  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.25  1.0

Al Al Sn Pb
Al Al Sn Pb 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 