data_TiAl2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.83
_cell_angle_alpha   102.83
_cell_angle_beta   102.83
_cell_angle_gamma   34.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2Ag
_chemical_formula_sum   'Ti1 Al2 Ag1'
_cell_volume   66.94
_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  0.23  0.0  0.23  1.0
  Al  Al1  1  0.93  0.0  0.66  1.0
  Al  Al2  1  0.92  0.0  0.23  1.0
  Ag  Ag0  1  0.59  0.0  0.61  1.0

data_TiAl2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.83
_cell_length_c   5.05
_cell_angle_alpha   102.83
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2Ag
_chemical_formula_sum   'Ti1 Al2 Ag1'
_cell_volume   66.94
_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  0.23  0.23  1.0
  Al  Al1  1  0.0  0.23  0.92  1.0
  Al  Al2  1  0.0  0.66  0.93  1.0
  Ag  Ag3  1  0.0  0.61  0.59  1.0

Ti Al Al Ag
Ti Al Al Ag 0 2 - o o 1 3 o o o 
TiAgAl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiAgAl2 cluster. Ti(1) is bonded in a distorted bent 120 degrees geometry to one Ag(1) and one Al(2) atom. The Ti(1)-Ag(1) bond length is 2.28 Å. The Ti(1)-Al(2) bond length is 1.55 Å. Ag(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Al(1) atom. The Ag(1)-Al(1) bond length is 1.68 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Ag(1) atom. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to one Ti(1) atom.