data_CdCuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   6.85
_cell_length_c   2.9
_cell_angle_alpha   81.68
_cell_angle_beta   74.3
_cell_angle_gamma   24.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuAu
_chemical_formula_sum   'Cd1 Cu1 Au1'
_cell_volume   52.83
_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  0.69  0.35  0.96  1.0
  Cu  Cu2  1  0.69  0.35  0.45  1.0
  Au  Au0  1  0.69  0.35  0.13  1.0

data_CdCuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.39
_cell_length_b   13.27
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   125.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdCuAu
_chemical_formula_sum   'Cd2 Cu2 Au2'
_cell_volume   105.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.35  0.0  0.35  1.0
  Cu  Cu1  2  0.35  0.0  0.85  1.0
  Au  Au2  2  0.35  0.0  0.17  1.0

Cd Cu Au
Cd Cu Au 0 2 o o + 1 2 o o o 