data_Cd2InGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   131.78
_cell_angle_beta   131.78
_cell_angle_gamma   70.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InGa
_chemical_formula_sum   'Cd2 In1 Ga1'
_cell_volume   92.82
_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  0.53  1.0
  Cd  Cd1  1  0.0  0.26  0.26  1.0
  In  In3  1  0.26  0.0  0.26  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0

data_Cd2InGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.54
_cell_angle_alpha   114.11
_cell_angle_beta   114.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InGa
_chemical_formula_sum   'Cd2 In1 Ga1'
_cell_volume   92.82
_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  0.26  0.0  1.0
  Cd  Cd1  1  0.47  0.0  0.47  1.0
  In  In2  1  0.74  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Cd Cd In Ga
Cd Cd In Ga 0 1 o o o 0 3 o o o 0 3 o o + 0 2 o o o 1 3 o o o 2 3 o o o 