data_Al2CrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrGa
_chemical_formula_sum   'Al2 Cr1 Ga1'
_cell_volume   57.8
_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
  Al  Al0  1  0.0  0.0  0.53  1.0
  Al  Al1  1  0.61  0.61  0.52  1.0
  Cr  Cr2  1  0.0  0.0  0.78  1.0
  Ga  Ga3  1  0.61  0.61  0.07  1.0

data_Al2CrGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2CrGa
_chemical_formula_sum   'Al4 Cr2 Ga2'
_cell_volume   115.6
_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
  Al  Al0  2  0.0  0.0  0.53  1.0
  Al  Al1  2  0.11  0.5  0.52  1.0
  Cr  Cr2  2  0.0  0.0  0.78  1.0
  Ga  Ga3  2  0.11  0.5  0.07  1.0

Al Al Cr Ga
Al Al Cr Ga 0 2 o o o 0 1 - - o 0 3 - - o 1 3 o o + 1 3 o o o 2 3 o - + 2 3 - o + 2 3 - - + 
CrGaAl2 crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a distorted single-bond geometry to three equivalent Ga(1) and one Al(1) atom. There is one shorter (2.41 Å) and two longer (2.86 Å) Cr(1)-Ga(1) bond lengths. The Cr(1)-Al(1) bond length is 1.35 Å. Ga(1) is bonded in a 4-coordinate geometry to three equivalent Cr(1) and one Al(2) atom. The Ga(1)-Al(2) bond length is 2.48 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 1.77 Å. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Ga(1) and one Al(1) atom.