data_Ti2BiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.84
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   94.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiAu
_chemical_formula_sum   'Ti2 Bi1 Au1'
_cell_volume   78.58
_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  Ti2  1  0.52  0.0  0.87  1.0
  Ti  Ti3  1  0.55  0.42  0.51  1.0
  Bi  Bi1  1  0.75  0.42  0.06  1.0
  Au  Au0  1  0.26  0.0  0.12  1.0

data_Ti2BiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.84
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   94.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiAu
_chemical_formula_sum   'Ti2 Bi1 Au1'
_cell_volume   78.58
_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  0.52  0.0  0.87  1.0
  Ti  Ti1  1  0.55  0.42  0.51  1.0
  Bi  Bi2  1  0.75  0.42  0.06  1.0
  Au  Au3  1  0.26  0.0  0.12  1.0

Ti Ti Bi Au
Ti2AuBi crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Au(1) and two equivalent Bi(1) atoms. The Ti(1)-Au(1) bond length is 1.61 Å. There is one shorter (2.33 Å) and one longer (3.05 Å) Ti(1)-Bi(1) bond length. In the second Ti site, Ti(2) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Bi(1) atoms. The Ti(2)-Au(1) bond length is 2.92 Å. There is one shorter (2.44 Å) and one longer (2.77 Å) Ti(2)-Bi(1) bond length. Au(1) is bonded in a distorted single-bond geometry to one Ti(1), one Ti(2), and three equivalent Bi(1) atoms. There are a spread of Au(1)-Bi(1) bond distances ranging from 2.60-3.27 Å. Bi(1) is bonded in a 7-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and three equivalent Au(1) atoms.