data_Ba2TiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   4.21
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TiAg
_chemical_formula_sum   'Ba2 Ti1 Ag1'
_cell_volume   144.79
_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
  Ba  Ba1  1  0.98  0.11  0.4  1.0
  Ba  Ba2  1  0.98  0.11  0.27  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.33  1.0

data_Ba2TiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.21
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TiAg
_chemical_formula_sum   'Ba2 Ti1 Ag1'
_cell_volume   144.79
_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
  Ba  Ba0  1  0.98  0.11  0.27  1.0
  Ba  Ba1  1  0.98  0.11  0.4  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.33  1.0

Ba Ba Ti Ag
Ba2TiAg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2TiAg cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Ag(1) atom. The Ba(1)-Ag(1) bond length is 0.71 Å. In the second Ba site, Ba(2) is bonded in a single-bond geometry to one Ti(1) and one Ag(1) atom. The Ba(2)-Ti(1) bond length is 2.38 Å. The Ba(2)-Ag(1) bond length is 0.71 Å. Ti(1) is bonded in a single-bond geometry to one Ba(2) atom. Ag(1) is bonded in a water-like geometry to one Ba(1) and one Ba(2) atom.