data_CrGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   122.97
_cell_angle_beta   122.97
_cell_angle_gamma   84.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaAu2
_chemical_formula_sum   'Cr1 Ga1 Au2'
_cell_volume   67.54
_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
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.43  1.0
  Au  Au0  1  0.0  0.22  0.71  1.0
  Au  Au1  1  0.22  0.0  0.71  1.0

data_CrGaAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   132.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrGaAu2
_chemical_formula_sum   'Cr2 Ga2 Au4'
_cell_volume   135.09
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.43  1.0
  Au  Au2  4  0.39  0.39  0.5  1.0

Cr Ga Au Au
CrAu2Ga crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 5-coordinate geometry to four equivalent Au(1) and one Ga(1) atom. There are two shorter (2.07 Å) and two longer (3.11 Å) Cr(1)-Au(1) bond lengths. The Cr(1)-Ga(1) bond length is 2.00 Å. Au(1) is bonded in a distorted single-bond geometry to two equivalent Cr(1) and one Ga(1) atom. The Au(1)-Ga(1) bond length is 1.15 Å. Ga(1) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Au(1) atoms.