data_TiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84
_cell_length_b   9.84
_cell_length_c   9.84
_cell_angle_alpha   159.69
_cell_angle_beta   159.69
_cell_angle_gamma   28.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2
_chemical_formula_sum   'Ti2 Ag4'
_cell_volume   114.94
_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  0.0  1.0
  Ti  Ti5  1  0.0  0.74  0.77  1.0
  Ag  Ag0  1  0.74  0.0  0.39  1.0
  Ag  Ag1  1  0.74  0.0  0.14  1.0
  Ag  Ag2  1  0.0  0.0  0.16  1.0
  Ag  Ag3  1  0.0  0.0  0.91  1.0

data_TiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   9.84
_cell_angle_alpha   100.16
_cell_angle_beta   100.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2
_chemical_formula_sum   'Ti2 Ag4'
_cell_volume   114.94
_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  0.97  0.74  0.97  1.0
  Ag  Ag2  1  0.09  0.0  0.09  1.0
  Ag  Ag3  1  0.61  0.0  0.34  1.0
  Ag  Ag4  1  0.84  0.0  0.84  1.0
  Ag  Ag5  1  0.86  0.0  0.6  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 3-coordinate geometry to one Ti(2), one Ag(3), and one Ag(4) atom. The Ti(1)-Ti(2) bond length is 0.91 Å. The Ti(1)-Ag(3) bond length is 1.58 Å. The Ti(1)-Ag(4) bond length is 0.91 Å. In the second Ti site, Ti(2) is bonded in a 1-coordinate geometry to one Ti(1) and two equivalent Ag(3) atoms. There is one shorter (1.70 Å) and one longer (2.65 Å) Ti(2)-Ag(3) bond length. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one Ag(2), two equivalent Ag(4), and four equivalent Ag(1) atoms. The Ag(1)-Ag(2) bond length is 2.49 Å. There is one shorter (2.77 Å) and one longer (3.22 Å) Ag(1)-Ag(4) bond length. All Ag(1)-Ag(1) bond lengths are 3.47 Å. In the second Ag site, Ag(2) is bonded in a distorted bent 150 degrees geometry to one Ag(1) and one Ag(3) atom. The Ag(2)-Ag(3) bond length is 2.41 Å. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to one Ti(1), two equivalent Ti(2), and one Ag(2) atom. In the fourth Ag site, Ag(4) is bonded in a single-bond geometry to one Ti(1) and two equivalent Ag(1) atoms.