data_Al2Cd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81
_cell_length_b   7.46
_cell_length_c   11.42
_cell_angle_alpha   50.46
_cell_angle_beta   40.78
_cell_angle_gamma   88.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cd3
_chemical_formula_sum   'Al4 Cd6'
_cell_volume   153.33
_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  0.8  0.36  0.42  1.0
  Al  Al1  1  0.93  0.09  0.42  1.0
  Al  Al2  1  0.48  0.46  0.02  1.0
  Al  Al3  1  0.61  0.73  0.02  1.0
  Cd  Cd4  1  0.94  0.62  0.78  1.0
  Cd  Cd5  1  0.78  0.83  0.78  1.0
  Cd  Cd6  1  0.63  0.2  0.37  1.0
  Cd  Cd7  1  0.47  0.98  0.37  1.0
  Cd  Cd8  1  0.36  0.73  0.38  1.0
  Cd  Cd9  1  0.68  0.36  0.97  1.0

data_Al2Cd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.39
_cell_length_b   7.46
_cell_length_c   8.81
_cell_angle_alpha   88.76
_cell_angle_beta   82.22
_cell_angle_gamma   80.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cd3
_chemical_formula_sum   'Al4 Cd6'
_cell_volume   153.33
_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  0.07  0.49  0.35  1.0
  Al  Al1  1  0.2  0.22  0.22  1.0
  Al  Al2  1  0.39  0.26  0.63  1.0
  Al  Al3  1  0.52  0.53  0.5  1.0
  Cd  Cd4  1  0.06  0.6  0.72  1.0
  Cd  Cd5  1  0.22  0.39  0.56  1.0
  Cd  Cd6  1  0.32  0.66  0.66  1.0
  Cd  Cd7  1  0.37  0.43  1.0  1.0
  Cd  Cd8  1  0.53  0.64  0.84  1.0
  Cd  Cd9  1  0.64  0.9  0.74  1.0

Al Al Al Al Cd Cd Cd Cd Cd Cd
Al Al Al Al Cd Cd Cd Cd Cd Cd 0 6 o o o 0 0 + + - 0 1 o o o 1 2 o - + 1 2 + o o 1 5 o - o 2 5 o o - 2 9 o o - 3 5 o o - 4 9 o o o 4 7 + o o 4 7 o - + 4 8 + o o 6 6 + + - 6 7 o - o 7 9 o + - 7 8 o o o 8 9 - o o 8 9 o + - 8 8 + + - 