data_ReWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReWAu2
_chemical_formula_sum   'Re1 W1 Au2'
_cell_volume   67.09
_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
  Re  Re2  1  0.61  0.61  0.61  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.84  0.84  0.84  1.0
  Au  Au1  1  0.23  0.23  0.23  1.0

data_ReWAu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   11.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReWAu2
_chemical_formula_sum   'Re3 W3 Au6'
_cell_volume   201.28
_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
  Re  Re0  3  0.0  0.0  0.39  1.0
  W  W1  3  0.0  0.0  -0.0  1.0
  Au  Au2  3  0.0  0.0  0.16  1.0
  Au  Au3  3  0.0  0.0  0.77  1.0

Re W Au Au
WReAu2 is Heusler structured and crystallizes in the trigonal R3m space group. W(1) is bonded in a distorted single-bond geometry to three equivalent Re(1), one Au(1), and one Au(2) atom. All W(1)-Re(1) bond lengths are 2.70 Å. The W(1)-Au(1) bond length is 1.81 Å. The W(1)-Au(2) bond length is 2.52 Å. Re(1) is bonded in a 10-coordinate geometry to three equivalent W(1), three equivalent Au(2), and four equivalent Au(1) atoms. All Re(1)-Au(2) bond lengths are 2.70 Å. There is one shorter (2.52 Å) and three longer (2.90 Å) Re(1)-Au(1) bond lengths. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted linear geometry to one W(1) and four equivalent Re(1) atoms. In the second Au site, Au(2) is bonded to one W(1) and three equivalent Re(1) atoms to form distorted corner-sharing AuRe3W tetrahedra.