data_AlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.18
_cell_angle_alpha   102.59
_cell_angle_beta   102.59
_cell_angle_gamma   25.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd
_chemical_formula_sum   'Al3 Cd3'
_cell_volume   119.57
_cell_formula_units_Z   3
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  0.1  0.0  0.66  1.0
  Al  Al1  1  0.05  0.0  0.8  1.0
  Al  Al2  1  0.41  0.0  0.59  1.0
  Cd  Cd3  1  0.59  0.0  0.71  1.0
  Cd  Cd4  1  0.14  0.0  0.7  1.0
  Cd  Cd5  1  0.79  0.0  0.61  1.0

data_AlCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   6.18
_cell_length_c   6.75
_cell_angle_alpha   102.59
_cell_angle_beta   102.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd
_chemical_formula_sum   'Al3 Cd3'
_cell_volume   119.57
_cell_formula_units_Z   3
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  0.59  0.41  1.0
  Al  Al1  1  0.0  0.66  0.1  1.0
  Al  Al2  1  0.0  0.8  0.05  1.0
  Cd  Cd3  1  0.0  0.61  0.79  1.0
  Cd  Cd4  1  0.0  0.7  0.14  1.0
  Cd  Cd5  1  0.0  0.71  0.59  1.0

Al Al Al Cd Cd Cd