data_BaTlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   4.11
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   94.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTlAg2
_chemical_formula_sum   'Ba1 Tl1 Ag2'
_cell_volume   115.58
_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  Ba2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.69  0.0  0.62  1.0
  Ag  Ag0  1  0.4  0.06  0.1  1.0
  Ag  Ag1  1  0.86  0.06  0.15  1.0

data_BaTlAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.11
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   94.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTlAg2
_chemical_formula_sum   'Ba1 Tl1 Ag2'
_cell_volume   115.58
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.69  0.0  0.62  1.0
  Ag  Ag2  1  0.4  0.06  0.1  1.0
  Ag  Ag3  1  0.86  0.06  0.15  1.0

Ba Tl Ag Ag
Ba Tl Ag Ag 0 3 - o o 0 1 o o - 0 1 - o - 0 2 o o o 1 2 o o o 1 2 o o + 1 1 + o o 1 1 o + o 1 3 o o o 1 3 o o + 2 3 o o o 
BaAg2Tl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaAg2Tl cluster. Ba(1) is bonded in a 2-coordinate geometry to one Ag(1), one Ag(2), and one Tl(1) atom. The Ba(1)-Ag(1) bond length is 1.67 Å. The Ba(1)-Ag(2) bond length is 1.28 Å. The Ba(1)-Tl(1) bond length is 2.89 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. In the second Ag site, Ag(2) is bonded in a single-bond geometry to one Ba(1) atom. Tl(1) is bonded in a distorted single-bond geometry to one Ba(1) atom.