data_AlCdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   142.22
_cell_angle_beta   131.17
_cell_angle_gamma   63.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdAu2
_chemical_formula_sum   'Al1 Cd1 Au2'
_cell_volume   73.02
_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  0.0  0.1  1.0
  Cd  Cd3  1  0.0  0.25  0.08  1.0
  Au  Au1  1  0.0  0.25  0.46  1.0
  Au  Au2  1  0.0  0.0  0.22  1.0

data_AlCdAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.49
_cell_length_c   5.43
_cell_angle_alpha   114.41
_cell_angle_beta   108.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdAu2
_chemical_formula_sum   'Al1 Cd1 Au2'
_cell_volume   73.02
_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  0.9  0.9  0.9  1.0
  Cd  Cd1  1  0.92  0.17  0.17  1.0
  Au  Au2  1  0.54  0.78  0.78  1.0
  Au  Au3  1  0.78  0.78  0.78  1.0

Al Cd Au Au
Al Cd Au Au 0 3 o o o 0 1 o o o 2 3 o o o 