data_Ba2CdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   121.97
_cell_angle_beta   119.83
_cell_angle_gamma   88.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CdAu
_chemical_formula_sum   'Ba2 Cd1 Au1'
_cell_volume   141.19
_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
  Ba  Ba1  1  0.0  0.94  0.08  1.0
  Ba  Ba2  1  0.85  0.0  0.12  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.21  1.0

data_Ba2CdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.7
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   60.17
_cell_angle_beta   60.99
_cell_angle_gamma   60.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CdAu
_chemical_formula_sum   'Ba2 Cd1 Au1'
_cell_volume   141.19
_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
  Ba  Ba0  1  0.08  0.0  0.86  1.0
  Ba  Ba1  1  0.28  0.85  0.88  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.21  0.0  0.79  1.0

Ba Ba Cd Au