data_TiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   6.85
_cell_angle_alpha   105.21
_cell_angle_beta   105.21
_cell_angle_gamma   30.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2
_chemical_formula_sum   'Ti2 Ag4'
_cell_volume   105.42
_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  Ti4  1  0.81  0.0  0.25  1.0
  Ti  Ti5  1  0.17  0.0  0.34  1.0
  Ag  Ag0  1  0.14  0.0  0.72  1.0
  Ag  Ag1  1  0.83  0.0  0.88  1.0
  Ag  Ag2  1  0.47  0.0  0.07  1.0
  Ag  Ag3  1  0.5  0.0  0.52  1.0

data_TiAg2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.95
_cell_length_b   5.62
_cell_length_c   6.85
_cell_angle_alpha   105.21
_cell_angle_beta   90.0
_cell_angle_gamma   105.23
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiAg2
_chemical_formula_sum   'Ti2 Ag4'
_cell_volume   105.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.18  0.55  1.0
  Ag  Ag1  2  0.0  0.16  0.92  1.0
  Ag  Ag2  2  0.0  0.48  0.28  1.0

Ti Ti Ag Ag Ag Ag
TiAg2 crystallizes in the triclinic P-1 space group. Ti(1) is bonded in a 1-coordinate geometry to one Ag(2) and two equivalent Ag(1) atoms. The Ti(1)-Ag(2) bond length is 1.97 Å. There is one shorter (2.61 Å) and one longer (3.26 Å) Ti(1)-Ag(1) bond length. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to two equivalent Ti(1), two equivalent Ag(2), and three equivalent Ag(1) atoms. There is one shorter (2.63 Å) and one longer (2.72 Å) Ag(1)-Ag(2) bond length. There is one shorter (2.30 Å) and two longer (2.95 Å) Ag(1)-Ag(1) bond lengths. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Ti(1) and two equivalent Ag(1) atoms.