data_Hf2TlRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   4.78
_cell_angle_alpha   114.25
_cell_angle_beta   114.25
_cell_angle_gamma   34.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlRe
_chemical_formula_sum   'Hf2 Tl1 Re1'
_cell_volume   81.29
_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
  Hf  Hf0  1  0.03  0.0  0.0  1.0
  Hf  Hf1  1  0.04  0.0  0.22  1.0
  Tl  Tl3  1  0.02  0.0  0.17  1.0
  Re  Re2  1  0.43  0.0  0.07  1.0

data_Hf2TlRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.78
_cell_length_c   5.79
_cell_angle_alpha   114.25
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlRe
_chemical_formula_sum   'Hf2 Tl1 Re1'
_cell_volume   81.29
_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
  Hf  Hf0  1  0.0  0.0  0.03  1.0
  Hf  Hf1  1  0.0  0.22  0.04  1.0
  Tl  Tl2  1  0.0  0.17  0.02  1.0
  Re  Re3  1  0.0  0.07  0.43  1.0

Hf Hf Tl Re
Hf2ReTl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hf2ReTl cluster. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted single-bond geometry to one Re(1) and one Tl(1) atom. The Hf(1)-Re(1) bond length is 2.19 Å. The Hf(1)-Tl(1) bond length is 0.86 Å. In the second Hf site, Hf(2) is bonded in a single-bond geometry to one Tl(1) atom. The Hf(2)-Tl(1) bond length is 0.23 Å. Re(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. Tl(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Hf(2) atom.