data_ZrTlZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlZn2
_chemical_formula_sum   'Zr1 Tl1 Zn2'
_cell_volume   78.56
_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
  Zr  Zr3  1  0.0  0.0  0.01  1.0
  Tl  Tl0  1  0.2  0.0  0.72  1.0
  Zn  Zn1  1  0.0  0.0  0.17  1.0
  Zn  Zn2  1  0.2  0.0  0.8  1.0

data_ZrTlZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlZn2
_chemical_formula_sum   'Zr1 Tl1 Zn2'
_cell_volume   78.56
_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
  Zr  Zr0  1  0.0  0.0  0.01  1.0
  Tl  Tl1  1  0.2  0.0  0.72  1.0
  Zn  Zn2  1  0.0  0.0  0.17  1.0
  Zn  Zn3  1  0.2  0.0  0.8  1.0

Zr Tl Zn Zn
Zr Tl Zn Zn 0 2 o o o 1 3 o o o 
ZrZn2Tl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrZn2Tl cluster. Zr(1) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one Zn(2) atom. The Zr(1)-Zn(1) bond length is 1.19 Å. The Zr(1)-Zn(2) bond length is 1.73 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Zn site, Zn(2) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one Tl(1) atom. The Zn(2)-Tl(1) bond length is 0.57 Å. Tl(1) is bonded in a single-bond geometry to one Zn(2) atom.