data_Ti2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Ag
_chemical_formula_sum   'Ti4 Ag2'
_cell_volume   105.49
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.85  1.0
  Ti  Ti4  1  0.0  0.67  0.42  1.0
  Ti  Ti5  1  0.31  0.34  0.27  1.0
  Ag  Ag0  1  0.0  0.67  0.27  1.0
  Ag  Ag1  1  0.31  0.34  0.42  1.0

data_Ti2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Ag
_chemical_formula_sum   'Ti4 Ag2'
_cell_volume   105.49
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.85  1.0
  Ti  Ti2  1  0.0  0.67  0.42  1.0
  Ti  Ti3  1  0.31  0.34  0.27  1.0
  Ag  Ag4  1  0.0  0.67  0.27  1.0
  Ag  Ag5  1  0.31  0.34  0.42  1.0

Ti Ti Ti Ti Ag Ag
Ti Ti Ti Ti Ag Ag 0 1 o o - 2 4 o o o 3 5 o o o 
Ti2Ag is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2Ag cluster. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one Ti(2) and one Ag(1) atom. The Ti(1)-Ti(2) bond length is 0.88 Å. The Ti(1)-Ag(1) bond length is 2.15 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Ti(1) and one Ag(2) atom. The Ti(2)-Ag(2) bond length is 2.84 Å. In the third Ti site, Ti(3) is bonded in a single-bond geometry to one Ag(1) atom. The Ti(3)-Ag(1) bond length is 0.88 Å. In the fourth Ti site, Ti(4) is bonded in a single-bond geometry to one Ag(2) atom. The Ti(4)-Ag(2) bond length is 0.88 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Ti(3) atom. In the second Ag site, Ag(2) is bonded in a single-bond geometry to one Ti(2) and one Ti(4) atom.