data_Tl2FeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeRe
_chemical_formula_sum   'Tl2 Fe1 Re1'
_cell_volume   75.03
_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  0.11  0.0  0.1  1.0
  Tl  Tl3  1  0.0  0.11  0.1  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.11  0.11  0.0  1.0

data_Tl2FeRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2FeRe
_chemical_formula_sum   'Tl4 Fe2 Re2'
_cell_volume   150.06
_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  4  0.06  0.06  0.1  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.11  0.0  0.0  1.0

Tl Tl Fe Re
Tl Tl Fe Re 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
ReFeTl2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ReFeTl2 clusters. Re(1) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Tl(1) atoms. The Re(1)-Fe(1) bond length is 0.67 Å. Both Re(1)-Tl(1) bond lengths are 0.64 Å. Fe(1) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Tl(1) atoms. Both Fe(1)-Tl(1) bond lengths are 0.64 Å. Tl(1) is bonded in a 3-coordinate geometry to one Re(1), one Fe(1), and one Tl(1) atom. The Tl(1)-Tl(1) bond length is 0.67 Å.