data_TiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   101.8
_cell_angle_beta   101.8
_cell_angle_gamma   126.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2
_chemical_formula_sum   'Ti2 Ag4'
_cell_volume   110.09
_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  0.0  0.0  0.63  1.0
  Ti  Ti5  1  0.0  0.0  0.21  1.0
  Ag  Ag0  1  0.39  0.98  0.42  1.0
  Ag  Ag1  1  0.02  0.39  0.42  1.0
  Ag  Ag2  1  0.35  0.98  0.0  1.0
  Ag  Ag3  1  0.98  0.39  0.0  1.0

data_TiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   78.2
_cell_angle_beta   63.12
_cell_angle_gamma   63.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2
_chemical_formula_sum   'Ti2 Ag4'
_cell_volume   110.09
_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  0.37  1.0
  Ti  Ti1  1  0.0  0.0  0.79  1.0
  Ag  Ag2  1  0.39  0.59  0.0  1.0
  Ag  Ag3  1  0.39  0.63  0.58  1.0
  Ag  Ag4  1  0.98  0.37  0.0  1.0
  Ag  Ag5  1  0.98  0.41  0.58  1.0

Ti Ti Ag Ag Ag Ag
TiAg2 crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to one Ti(2), one Ag(3), one Ag(4), two equivalent Ag(1), and two equivalent Ag(2) atoms. The Ti(1)-Ti(2) bond length is 2.24 Å. The Ti(1)-Ag(3) bond length is 2.52 Å. The Ti(1)-Ag(4) bond length is 2.65 Å. There is one shorter (2.62 Å) and one longer (3.14 Å) Ti(1)-Ag(1) bond length. There is one shorter (2.54 Å) and one longer (3.28 Å) Ti(1)-Ag(2) bond length. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Ti(1), one Ag(1), one Ag(2), one Ag(3), and two equivalent Ag(4) atoms. The Ti(2)-Ag(1) bond length is 2.25 Å. The Ti(2)-Ag(2) bond length is 2.10 Å. The Ti(2)-Ag(3) bond length is 2.43 Å. There is one shorter (2.62 Å) and one longer (3.14 Å) Ti(2)-Ag(4) bond length. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 1-coordinate geometry to one Ti(2), two equivalent Ti(1), and two equivalent Ag(4) atoms. There is one shorter (2.58 Å) and one longer (3.07 Å) Ag(1)-Ag(4) bond length. In the second Ag site, Ag(2) is bonded in a 1-coordinate geometry to one Ti(2), two equivalent Ti(1), and two equivalent Ag(4) atoms. There is one shorter (2.20 Å) and one longer (3.16 Å) Ag(2)-Ag(4) bond length. In the third Ag site, Ag(3) is bonded in a 2-coordinate geometry to one Ti(1), one Ti(2), and two equivalent Ag(4) atoms. There is one shorter (2.53 Å) and one longer (2.71 Å) Ag(3)-Ag(4) bond length. In the fourth Ag site, Ag(4) is bonded in a 9-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms.