data_Al2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PbAu
_chemical_formula_sum   'Al2 Pb1 Au1'
_cell_volume   83.87
_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  0.55  0.94  0.65  1.0
  Al  Al1  1  0.55  0.06  0.65  1.0
  Pb  Pb3  1  0.09  0.0  0.0  1.0
  Au  Au2  1  0.0  0.0  0.0  1.0

data_Al2PbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   106.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PbAu
_chemical_formula_sum   'Al2 Pb1 Au1'
_cell_volume   83.87
_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  0.65  0.55  0.06  1.0
  Al  Al1  1  0.65  0.55  0.94  1.0
  Pb  Pb2  1  0.0  0.09  0.0  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Al Al Pb Au