data_GaReAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReAu2
_chemical_formula_sum   'Ga1 Re1 Au2'
_cell_volume   68.48
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.25  0.25  0.25  1.0
  Au  Au0  1  0.62  0.62  0.62  1.0
  Au  Au1  1  0.87  0.87  0.87  1.0

data_GaReAu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   11.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaReAu2
_chemical_formula_sum   'Ga3 Re3 Au6'
_cell_volume   205.45
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Re  Re1  3  0.0  0.0  0.75  1.0
  Au  Au2  3  0.0  0.0  0.13  1.0
  Au  Au3  3  0.0  0.0  0.38  1.0

Ga Re Au Au
Ga Re Au Au 0 3 - - - 0 1 o o o 0 1 o o - 0 1 - o o 0 1 o - o 0 2 o - - 0 2 - o - 0 2 - - o 1 3 - - o 1 3 - o - 1 3 o - - 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
ReAu2Ga crystallizes in the trigonal R3m space group. Re(1) is bonded in a 10-coordinate geometry to three equivalent Au(1), three equivalent Au(2), and four equivalent Ga(1) atoms. All Re(1)-Au(1) bond lengths are 2.70 Å. All Re(1)-Au(2) bond lengths are 2.70 Å. There is one shorter (2.78 Å) and three longer (2.82 Å) Re(1)-Ga(1) bond lengths. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent Ga(1) atoms. All Au(1)-Ga(1) bond lengths are 2.70 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to three equivalent Re(1) and one Ga(1) atom. The Au(2)-Ga(1) bond length is 1.45 Å. Ga(1) is bonded in a single-bond geometry to four equivalent Re(1), one Au(2), and three equivalent Au(1) atoms.