data_WAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.27
_cell_angle_alpha   96.83
_cell_angle_beta   96.83
_cell_angle_gamma   32.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WAu3
_chemical_formula_sum   'W1 Au3'
_cell_volume   69.32
_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
  W  W3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.92  0.0  0.98  1.0
  Au  Au1  1  0.9  0.0  0.25  1.0
  Au  Au2  1  0.41  0.0  0.61  1.0

data_WAu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.94
_cell_length_c   5.27
_cell_angle_alpha   96.83
_cell_angle_beta   90.0
_cell_angle_gamma   106.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WAu3
_chemical_formula_sum   'W1 Au3'
_cell_volume   69.32
_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
  W  W0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.08  0.02  1.0
  Au  Au2  1  0.0  0.1  0.75  1.0
  Au  Au3  1  0.0  0.59  0.39  1.0

W Au Au Au
W Au Au Au 0 1 - o - 0 2 - o o 0 3 o o - 0 3 - o - 1 2 o o + 1 3 + o o 1 3 o o o 1 3 + - o 2 3 o + o 2 3 + o o 2 3 o o o 3 3 + - o 
WAu3 crystallizes in the triclinic P1 space group. W(1) is bonded in a single-bond geometry to one Au(1), one Au(2), and one Au(3) atom. The W(1)-Au(1) bond length is 0.38 Å. The W(1)-Au(2) bond length is 1.47 Å. The W(1)-Au(3) bond length is 3.04 Å. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one W(1) and one Au(3) atom. The Au(1)-Au(3) bond length is 2.99 Å. In the second Au site, Au(2) is bonded in a 1-coordinate geometry to one W(1) and two equivalent Au(3) atoms. There is one shorter (2.99 Å) and one longer (3.24 Å) Au(2)-Au(3) bond length. In the third Au site, Au(3) is bonded in a 6-coordinate geometry to one W(1), one Au(1), two equivalent Au(2), and two equivalent Au(3) atoms. Both Au(3)-Au(3) bond lengths are 2.80 Å.