data_Cd2GaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.14
_cell_angle_alpha   98.51
_cell_angle_beta   98.51
_cell_angle_gamma   37.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaAu
_chemical_formula_sum   'Cd2 Ga1 Au1'
_cell_volume   82.11
_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  0.12  0.0  0.29  1.0
  Cd  Cd2  1  0.78  0.0  0.78  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.45  0.0  0.54  1.0

data_Cd2GaAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.13
_cell_length_c   5.14
_cell_angle_alpha   98.51
_cell_angle_beta   90.0
_cell_angle_gamma   108.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaAu
_chemical_formula_sum   'Cd2 Ga1 Au1'
_cell_volume   82.11
_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  0.22  0.22  1.0
  Cd  Cd1  1  0.0  0.88  0.71  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.55  0.46  1.0

Cd Cd Ga Au