data_Ti2AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   4.08
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlAg
_chemical_formula_sum   'Ti2 Al1 Ag1'
_cell_volume   66.96
_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  0.0  0.04  0.14  1.0
  Ti  Ti3  1  0.92  0.0  0.14  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.92  0.04  0.0  1.0

data_Ti2AlAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.08
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlAg
_chemical_formula_sum   'Ti2 Al1 Ag1'
_cell_volume   66.96
_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  0.04  0.14  1.0
  Ti  Ti1  1  0.92  0.0  0.14  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.92  0.04  0.0  1.0

Ti Ti Al Ag
Ti Ti Al Ag 0 1 - o o 2 3 - o o 
Ti2AgAl is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2AgAl cluster. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to one Ti(2), one Ag(1), and one Al(1) atom. The Ti(1)-Ti(2) bond length is 0.34 Å. The Ti(1)-Ag(1) bond length is 0.66 Å. The Ti(1)-Al(1) bond length is 0.61 Å. In the second Ti site, Ti(2) is bonded in a distorted L-shaped geometry to one Ti(1) and one Ag(1) atom. The Ti(2)-Ag(1) bond length is 0.61 Å. Ag(1) is bonded in a 2-coordinate geometry to one Ti(1), one Ti(2), and one Al(1) atom. The Ag(1)-Al(1) bond length is 0.34 Å. Al(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Ag(1) atom.