data_TlZnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36
_cell_length_b   10.36
_cell_length_c   10.36
_cell_angle_alpha   19.71
_cell_angle_beta   19.71
_cell_angle_gamma   19.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnCl2
_chemical_formula_sum   'Tl1 Zn1 Cl2'
_cell_volume   110.71
_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  Tl2  1  0.0  0.0  0.24  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.73  1.0
  Cl  Cl1  1  0.0  0.0  0.75  1.0

data_TlZnCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.14
_cell_length_b   3.55
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   101.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlZnCl2
_chemical_formula_sum   'Tl2 Zn2 Cl4'
_cell_volume   221.42
_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  0.76  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.25  1.0
  Cl  Cl3  2  0.0  0.0  0.27  1.0

Tl Zn Cl Cl
Tl Zn Cl Cl 0 1 o o o 1 3 o o - 1 2 o o - 2 3 o o o 
ZnTlCl2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZnTlCl2 clusters. Zn(1) is bonded in a distorted linear geometry to one Tl(1) and one Cl(2) atom. The Zn(1)-Tl(1) bond length is 2.46 Å. The Zn(1)-Cl(2) bond length is 2.61 Å. Tl(1) is bonded in a single-bond geometry to one Zn(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cl(2) atom. The Cl(1)-Cl(2) bond length is 0.22 Å. In the second Cl site, Cl(2) is bonded in a linear geometry to one Zn(1) and one Cl(1) atom.