data_AlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPb
_chemical_formula_sum   'Al2 Pb2'
_cell_volume   101.3
_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
  Al  Al0  1  0.85  0.68  0.35  1.0
  Al  Al1  1  0.85  0.32  0.12  1.0
  Pb  Pb2  1  0.85  0.01  0.35  1.0
  Pb  Pb3  1  0.85  0.99  0.12  1.0

data_AlPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.7
_cell_length_b   4.47
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   106.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlPb
_chemical_formula_sum   'Al2 Pb2'
_cell_volume   101.3
_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
  Al  Al0  2  0.32  0.62  0.32  1.0
  Pb  Pb1  2  0.01  0.38  0.01  1.0

Al Al Pb Pb