data_Cd2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ga
_chemical_formula_sum   'Cd6 Ga3'
_cell_volume   203.62
_cell_formula_units_Z   3
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  0.04  0.0  0.03  1.0
  Cd  Cd1  1  0.98  0.77  0.03  1.0
  Cd  Cd2  1  0.78  0.82  0.03  1.0
  Cd  Cd3  1  0.6  0.0  0.0  1.0
  Cd  Cd4  1  0.7  0.99  0.0  1.0
  Cd  Cd5  1  0.5  0.6  0.0  1.0
  Ga  Ga6  1  0.0  0.39  0.03  1.0
  Ga  Ga7  1  0.8  0.2  0.03  1.0
  Ga  Ga8  1  0.0  0.0  0.0  1.0

data_Cd2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   7.61
_cell_length_c   7.61
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ga
_chemical_formula_sum   'Cd6 Ga3'
_cell_volume   203.62
_cell_formula_units_Z   3
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  0.7  0.99  1.0
  Cd  Cd1  1  -0.0  0.5  0.6  1.0
  Cd  Cd2  1  0.0  0.6  0.0  1.0
  Cd  Cd3  1  0.03  0.04  0.0  1.0
  Cd  Cd4  1  0.03  0.78  0.82  1.0
  Cd  Cd5  1  0.03  0.98  0.77  1.0
  Ga  Ga6  1  0.0  0.0  0.0  1.0
  Ga  Ga7  1  0.03  0.0  0.39  1.0
  Ga  Ga8  1  0.03  0.8  0.2  1.0

Cd Cd Cd Cd Cd Cd Ga Ga Ga
Cd Cd Cd Cd Cd Cd Ga Ga Ga 0 8 o o o 0 1 - - o 0 2 - - o 1 8 + + o 1 2 o o o 2 5 o o o 2 4 o o o 2 8 + + o 3 4 o - o 3 7 o o o 4 7 o + o 6 7 - o o 