data_AlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   4.74
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPb
_chemical_formula_sum   'Al4 Pb4'
_cell_volume   190.43
_cell_formula_units_Z   4
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  0.36  0.55  0.28  1.0
  Al  Al1  1  0.97  0.18  0.26  1.0
  Al  Al2  1  0.68  0.55  0.79  1.0
  Al  Al3  1  0.29  0.18  0.77  1.0
  Pb  Pb4  1  0.94  0.55  0.27  1.0
  Pb  Pb5  1  0.38  0.18  0.3  1.0
  Pb  Pb6  1  0.26  0.55  0.75  1.0
  Pb  Pb7  1  0.7  0.18  0.78  1.0

data_AlPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.74
_cell_length_b   6.05
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlPb
_chemical_formula_sum   'Al4 Pb4'
_cell_volume   190.43
_cell_formula_units_Z   4
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  0.18  0.77  0.36  1.0
  Al  Al1  2  0.18  0.26  0.03  1.0
  Pb  Pb2  2  0.18  0.73  0.94  1.0
  Pb  Pb3  2  0.18  0.25  0.62  1.0

Al Al Al Al Pb Pb Pb Pb