data_ScW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScW2Au
_chemical_formula_sum   'Sc1 W2 Au1'
_cell_volume   69.97
_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
  Sc  Sc1  1  0.0  0.0  0.26  1.0
  W  W2  1  0.67  0.0  0.07  1.0
  W  W3  1  0.0  0.0  0.95  1.0
  Au  Au0  1  0.67  0.0  0.61  1.0

data_ScW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScW2Au
_chemical_formula_sum   'Sc1 W2 Au1'
_cell_volume   69.97
_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
  Sc  Sc0  1  0.0  0.0  0.26  1.0
  W  W1  1  0.0  0.0  0.95  1.0
  W  W2  1  0.67  0.0  0.07  1.0
  Au  Au3  1  0.67  0.0  0.61  1.0

Sc W W Au
Sc W W Au 0 1 - o o 0 3 - o o 1 2 + o - 2 3 - o o 3 3 + + o 3 3 o + o 3 3 + o o 
ScW2Au crystallizes in the triclinic P1 space group. Sc(1) is bonded in a distorted single-bond geometry to one W(1) and one Au(1) atom. The Sc(1)-W(1) bond length is 1.97 Å. The Sc(1)-Au(1) bond length is 3.35 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to one Sc(1) and one W(2) atom. The W(1)-W(2) bond length is 1.48 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one W(1) and one Au(1) atom. The W(2)-Au(1) bond length is 3.21 Å. Au(1) is bonded in a 6-coordinate geometry to one Sc(1), one W(2), and four equivalent Au(1) atoms. All Au(1)-Au(1) bond lengths are 2.83 Å.