data_Ti2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.08
_cell_angle_alpha   99.93
_cell_angle_beta   99.93
_cell_angle_gamma   34.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2PtAu
_chemical_formula_sum   'Ti2 Pt1 Au1'
_cell_volume   66.91
_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  0.71  0.0  0.19  1.0
  Ti  Ti3  1  0.65  0.0  0.8  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.18  0.0  0.5  1.0

data_Ti2PtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.86
_cell_length_c   5.08
_cell_angle_alpha   99.93
_cell_angle_beta   90.0
_cell_angle_gamma   107.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2PtAu
_chemical_formula_sum   'Ti2 Pt1 Au1'
_cell_volume   66.91
_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  0.29  0.81  1.0
  Ti  Ti1  1  0.0  0.35  0.2  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.82  0.5  1.0

Ti Ti Pt Au
Ti2PtAu crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 1-coordinate geometry to one Pt(1) and three equivalent Au(1) atoms. The Ti(1)-Pt(1) bond length is 1.83 Å. There are a spread of Ti(1)-Au(1) bond distances ranging from 2.54-3.29 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Pt(1) and three equivalent Au(1) atoms. The Ti(2)-Pt(1) bond length is 1.80 Å. There are a spread of Ti(2)-Au(1) bond distances ranging from 2.54-3.29 Å. Pt(1) is bonded in a 2-coordinate geometry to one Ti(1), one Ti(2), and two equivalent Au(1) atoms. There is one shorter (2.52 Å) and one longer (2.85 Å) Pt(1)-Au(1) bond length. Au(1) is bonded in a 10-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), two equivalent Pt(1), and two equivalent Au(1) atoms. Both Au(1)-Au(1) bond lengths are 2.89 Å.