data_Cd3Ga2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.19
_cell_length_b   11.19
_cell_length_c   11.19
_cell_angle_alpha   17.22
_cell_angle_beta   17.22
_cell_angle_gamma   17.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Ga2
_chemical_formula_sum   'Cd3 Ga2'
_cell_volume   107.23
_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  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.4  1.0
  Cd  Cd2  1  0.0  0.0  0.67  1.0
  Ga  Ga3  1  0.0  0.0  0.19  1.0
  Ga  Ga4  1  0.0  0.0  0.88  1.0

data_Cd3Ga2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   3.35
_cell_length_c   11.19
_cell_angle_alpha   90.0
_cell_angle_beta   99.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd3Ga2
_chemical_formula_sum   'Cd6 Ga4'
_cell_volume   214.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.6  1.0
  Cd  Cd2  2  0.0  0.0  0.33  1.0
  Ga  Ga3  2  0.0  0.0  0.81  1.0
  Ga  Ga4  2  0.0  0.0  0.12  1.0

Cd Cd Cd Ga Ga