data_TiW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   134.73
_cell_angle_beta   134.73
_cell_angle_gamma   65.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiW2Au
_chemical_formula_sum   'Ti1 W2 Au1'
_cell_volume   66.0
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.96  0.0  0.14  1.0
  W  W3  1  0.0  0.96  0.14  1.0
  Au  Au0  1  0.0  0.0  0.28  1.0

data_TiW2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   122.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiW2Au
_chemical_formula_sum   'Ti2 W4 Au2'
_cell_volume   132.0
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  W  W1  4  0.02  0.98  0.18  1.0
  Au  Au2  2  0.0  0.0  0.28  1.0

Ti W W Au
TiW2Au is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiW2Au clusters. Ti(1) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. Both Ti(1)-W(1) bond lengths are 0.86 Å. W(1) is bonded in a distorted single-bond geometry to one Ti(1), one W(1), and one Au(1) atom. The W(1)-W(1) bond length is 0.20 Å. The W(1)-Au(1) bond length is 0.60 Å. Au(1) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms.