data_TiNi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.84
_cell_length_c   3.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNi2Au
_chemical_formula_sum   'Ti1 Ni2 Au1'
_cell_volume   54.67
_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  Ti3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.79  0.92  0.0  1.0
  Ni  Ni2  1  0.79  0.0  0.99  1.0
  Au  Au0  1  0.0  0.92  0.99  1.0

data_TiNi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.84
_cell_length_c   3.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNi2Au
_chemical_formula_sum   'Ti1 Ni2 Au1'
_cell_volume   54.67
_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  Ti0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.79  0.0  0.99  1.0
  Ni  Ni2  1  0.79  0.92  0.0  1.0
  Au  Au3  1  0.0  0.92  0.99  1.0

Ti Ni Ni Au
TiNi2Au is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiNi2Au cluster. Ti(1) is bonded in a single-bond geometry to one Ni(2) and one Au(1) atom. The Ti(1)-Ni(2) bond length is 0.75 Å. The Ti(1)-Au(1) bond length is 0.31 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an L-shaped geometry to one Ni(2) and one Au(1) atom. The Ni(1)-Ni(2) bond length is 0.31 Å. The Ni(1)-Au(1) bond length is 0.75 Å. In the second Ni site, Ni(2) is bonded in an L-shaped geometry to one Ti(1) and one Ni(1) atom. Au(1) is bonded in a single-bond geometry to one Ti(1) and one Ni(1) atom.