data_TlNiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62
_cell_length_b   9.62
_cell_length_c   9.62
_cell_angle_alpha   18.2
_cell_angle_beta   18.2
_cell_angle_gamma   18.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiAg2
_chemical_formula_sum   'Tl1 Ni1 Ag2'
_cell_volume   75.8
_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
  Tl  Tl3  1  0.0  0.0  0.18  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.23  1.0
  Ag  Ag1  1  0.0  0.0  0.14  1.0

data_TlNiAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   3.04
_cell_length_c   9.62
_cell_angle_alpha   90.0
_cell_angle_beta   100.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlNiAg2
_chemical_formula_sum   'Tl2 Ni2 Ag4'
_cell_volume   151.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Tl  Tl0  2  0.0  0.0  0.82  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  0.0  0.0  0.77  1.0
  Ag  Ag3  2  0.0  0.0  0.86  1.0

Tl Ni Ag Ag
Tl Ni Ag Ag 0 3 o o o 0 2 o o o 1 3 o o o 
NiAg2Tl is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NiAg2Tl clusters. Ni(1) is bonded in a single-bond geometry to one Ag(2) atom. The Ni(1)-Ag(2) bond length is 1.34 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to one Tl(1) atom. The Ag(1)-Tl(1) bond length is 0.41 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Ni(1) and one Tl(1) atom. The Ag(2)-Tl(1) bond length is 0.41 Å. Tl(1) is bonded in a linear geometry to one Ag(1) and one Ag(2) atom.