data_TiAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   131.77
_cell_angle_beta   131.77
_cell_angle_gamma   70.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2Au
_chemical_formula_sum   'Ti1 As2 Au1'
_cell_volume   71.16
_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
  As  As0  1  0.07  0.0  0.07  1.0
  As  As1  1  0.0  0.07  0.07  1.0
  Au  Au2  1  0.0  0.0  0.14  1.0

data_TiAs2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   125.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiAs2Au
_chemical_formula_sum   'Ti2 As4 Au2'
_cell_volume   142.31
_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
  As  As1  4  0.46  0.46  1.0  1.0
  Au  Au2  2  0.0  0.0  0.14  1.0

Ti As As Au
TiAuAs2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiAuAs2 clusters. Ti(1) is bonded in an L-shaped geometry to one Au(1) and two equivalent As(1) atoms. The Ti(1)-Au(1) bond length is 0.71 Å. Both Ti(1)-As(1) bond lengths are 0.30 Å. Au(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent As(1) atoms. Both Au(1)-As(1) bond lengths are 0.66 Å. As(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Au(1) atom.