data_Cd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Au
_chemical_formula_sum   'Cd2 Au1'
_cell_volume   60.63
_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  0.4  0.39  0.89  1.0
  Cd  Cd2  1  0.0  0.78  0.14  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Cd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Au
_chemical_formula_sum   'Cd2 Au1'
_cell_volume   60.63
_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  0.14  0.0  0.78  1.0
  Cd  Cd1  1  0.89  0.4  0.39  1.0
  Au  Au2  1  0.0  0.0  0.0  1.0

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