data_Al2CrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   140.09
_cell_angle_beta   133.45
_cell_angle_gamma   62.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrCd
_chemical_formula_sum   'Al2 Cr1 Cd1'
_cell_volume   63.37
_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  0.0  0.04  0.3  1.0
  Al  Al1  1  0.0  0.0  0.18  1.0
  Cr  Cr3  1  0.0  0.0  0.68  1.0
  Cd  Cd2  1  0.0  0.04  0.05  1.0

data_Al2CrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.08
_cell_length_c   5.16
_cell_angle_alpha   113.27
_cell_angle_beta   109.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrCd
_chemical_formula_sum   'Al2 Cr1 Cd1'
_cell_volume   63.37
_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  0.7  0.74  0.74  1.0
  Al  Al1  1  0.82  0.82  0.82  1.0
  Cr  Cr2  1  0.32  0.32  0.32  1.0
  Cd  Cd3  1  0.95  0.99  0.99  1.0

Al Al Cr Cd