data_CdPdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   145.22
_cell_angle_beta   132.57
_cell_angle_gamma   60.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPdAu
_chemical_formula_sum   'Cd1 Pd1 Au1'
_cell_volume   53.47
_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
  Cd  Cd1  1  0.0  0.0  0.89  1.0
  Pd  Pd2  1  0.0  0.0  0.83  1.0
  Au  Au0  1  0.0  0.0  0.02  1.0

data_CdPdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.06
_cell_length_c   5.05
_cell_angle_alpha   113.71
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPdAu
_chemical_formula_sum   'Cd1 Pd1 Au1'
_cell_volume   53.47
_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
  Cd  Cd0  1  0.0  0.89  0.89  1.0
  Pd  Pd1  1  0.0  0.83  0.83  1.0
  Au  Au2  1  0.0  0.02  0.02  1.0

Cd Pd Au
Cd Pd Au 0 1 o o o 0 2 o o + 