data_ZrTl2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   4.94
_cell_angle_alpha   114.04
_cell_angle_beta   114.04
_cell_angle_gamma   34.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Re
_chemical_formula_sum   'Zr1 Tl2 Re1'
_cell_volume   86.88
_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  0.83  0.0  0.38  1.0
  Tl  Tl1  1  0.86  0.0  0.37  1.0
  Tl  Tl2  1  0.88  0.0  0.13  1.0
  Re  Re0  1  0.07  0.0  0.28  1.0

data_ZrTl2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.94
_cell_length_c   5.85
_cell_angle_alpha   114.04
_cell_angle_beta   107.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Re
_chemical_formula_sum   'Zr1 Tl2 Re1'
_cell_volume   86.88
_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  0.38  0.83  1.0
  Tl  Tl1  1  0.0  0.13  0.88  1.0
  Tl  Tl2  1  0.0  0.37  0.86  1.0
  Re  Re3  1  0.0  0.28  0.07  1.0

Zr Tl Tl Re
Zr Tl Tl Re 0 1 o o o 2 3 + o o 
ZrReTl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrReTl2 cluster. Zr(1) is bonded in a single-bond geometry to one Tl(1) atom. The Zr(1)-Tl(1) bond length is 0.21 Å. Re(1) is bonded in a distorted single-bond geometry to one Tl(2) atom. The Re(1)-Tl(2) bond length is 1.01 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Zr(1) and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 1.24 Å. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Re(1) and one Tl(1) atom.