data_CdInGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInGa2
_chemical_formula_sum   'Cd1 In1 Ga2'
_cell_volume   88.37
_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
  In  In3  1  0.0  0.0  0.41  1.0
  Ga  Ga1  1  0.58  0.58  0.14  1.0
  Ga  Ga2  1  0.58  0.58  0.68  1.0

data_CdInGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdInGa2
_chemical_formula_sum   'Cd2 In2 Ga4'
_cell_volume   176.74
_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
  In  In1  2  0.0  0.0  0.41  1.0
  Ga  Ga2  2  0.08  0.5  0.14  1.0
  Ga  Ga3  2  0.08  0.5  0.68  1.0

Cd In Ga Ga
Cd In Ga Ga 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 1 o o o 0 3 o - - 0 3 - o - 0 3 - - - 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 1 + o o 1 1 o + o 3 3 + o o 3 3 o + o 
CdInGa2 crystallizes in the monoclinic Cm space group. Cd(1) is bonded in a 4-coordinate geometry to one Ga(2) and four equivalent Ga(1) atoms. The Cd(1)-Ga(2) bond length is 3.39 Å. There are a spread of Cd(1)-Ga(1) bond distances ranging from 2.23-2.88 Å. In(1) is bonded in a 10-coordinate geometry to four equivalent In(1), three equivalent Ga(1), and three equivalent Ga(2) atoms. All In(1)-In(1) bond lengths are 3.17 Å. There is one shorter (3.03 Å) and two longer (3.29 Å) In(1)-Ga(1) bond lengths. There is one shorter (3.03 Å) and two longer (3.29 Å) In(1)-Ga(2) bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 3-coordinate geometry to four equivalent Cd(1) and three equivalent In(1) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to one Cd(1), three equivalent In(1), and four equivalent Ga(2) atoms. All Ga(2)-Ga(2) bond lengths are 3.17 Å.