data_Al2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   4.26
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cd
_chemical_formula_sum   'Al8 Cd4'
_cell_volume   227.52
_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  0.73  0.06  0.18  1.0
  Al  Al1  1  0.27  0.19  0.63  1.0
  Al  Al2  1  0.73  0.06  0.28  1.0
  Al  Al3  1  0.27  0.19  0.73  1.0
  Al  Al4  1  0.7  0.06  0.16  1.0
  Al  Al5  1  0.3  0.19  0.7  1.0
  Al  Al6  1  0.7  0.06  0.21  1.0
  Al  Al7  1  0.3  0.19  0.75  1.0
  Cd  Cd8  1  0.76  0.06  0.17  1.0
  Cd  Cd9  1  0.24  0.19  0.71  1.0
  Cd  Cd10  1  0.76  0.06  0.2  1.0
  Cd  Cd11  1  0.24  0.19  0.74  1.0

data_Al2Cd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.26
_cell_length_b   6.0
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Cd
_chemical_formula_sum   'Al8 Cd4'
_cell_volume   227.52
_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  0.44  0.2  0.25  1.0
  Al  Al1  2  0.44  0.2  0.2  1.0
  Al  Al2  2  0.44  0.23  0.32  1.0
  Al  Al3  2  0.44  0.23  0.22  1.0
  Cd  Cd4  2  0.44  0.26  0.21  1.0
  Cd  Cd5  2  0.44  0.26  0.24  1.0

Al Al Al Al Al Al Al Al Cd Cd Cd Cd