data_Ba2CdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.88
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CdGa
_chemical_formula_sum   'Ba2 Cd1 Ga1'
_cell_volume   160.71
_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  0.16  0.44  0.05  1.0
  Ba  Ba1  1  0.0  0.0  0.43  1.0
  Cd  Cd2  1  0.16  0.44  0.73  1.0
  Ga  Ga3  1  0.0  0.0  0.82  1.0

data_Ba2CdGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.88
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CdGa
_chemical_formula_sum   'Ba2 Cd1 Ga1'
_cell_volume   160.71
_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  0.0  0.0  0.43  1.0
  Ba  Ba1  1  0.16  0.44  0.05  1.0
  Cd  Cd2  1  0.16  0.44  0.73  1.0
  Ga  Ga3  1  0.0  0.0  0.82  1.0

Ba Ba Cd Ga
Ba Ba Cd Ga 0 3 o o - 0 2 o o - 0 1 o o o 1 2 o - o 1 2 o o o 1 3 o o o 2 3 o o o 2 3 o + o 