data_Cd3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   7.33
_cell_angle_alpha   120.98
_cell_angle_beta   120.98
_cell_angle_gamma   36.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Au2
_chemical_formula_sum   'Cd3 Au2'
_cell_volume   99.0
_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  Cd2  1  0.61  0.0  0.67  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0
  Cd  Cd4  1  0.29  0.0  0.49  1.0
  Au  Au0  1  0.83  0.0  0.94  1.0
  Au  Au1  1  0.06  0.0  0.22  1.0

data_Cd3Au2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.2
_cell_length_c   6.45
_cell_angle_alpha   77.26
_cell_angle_beta   75.38
_cell_angle_gamma   71.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Au2
_chemical_formula_sum   'Cd3 Au2'
_cell_volume   99.0
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.79  0.49  1.0
  Cd  Cd2  1  0.0  0.94  0.67  1.0
  Au  Au3  1  0.0  0.84  0.22  1.0
  Au  Au4  1  0.0  0.89  0.94  1.0

Cd Cd Cd Au Au
Cd Cd Cd Au Au 0 2 o o o 0 3 o o o 1 3 - o - 1 4 o o o 2 4 o o o 3 4 + o + 