data_TlReAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.87
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlReAu2
_chemical_formula_sum   'Tl1 Re1 Au2'
_cell_volume   73.95
_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  Tl3  1  0.49  0.44  0.0  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.49  0.0  0.55  1.0
  Au  Au1  1  0.0  0.44  0.55  1.0

data_TlReAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.87
_cell_length_b   2.98
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlReAu2
_chemical_formula_sum   'Tl1 Re1 Au2'
_cell_volume   73.95
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Tl0  1  0.44  0.5  -0.0  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.5  0.55  1.0
  Au  Au3  1  0.44  0.0  0.55  1.0

Tl Re Au Au
Tl Re Au Au 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 3 o o - 0 3 o o o 0 3 + o - 0 3 + o o 0 0 + o o 0 2 o o - 1 2 - o - 1 2 - o o 1 2 o o - 1 2 o o o 1 1 + o o 1 3 o o - 2 3 o - o 2 3 o o o 2 3 + - o 2 3 + o o 2 2 + o o 3 3 + o o 
ReAu2Tl crystallizes in the triclinic P1 space group. Re(1) is bonded in a 8-coordinate geometry to four equivalent Au(1) and four equivalent Tl(1) atoms. There are a spread of Re(1)-Au(1) bond distances ranging from 2.71-3.20 Å. There are a spread of Re(1)-Tl(1) bond distances ranging from 2.57-3.14 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 2-coordinate geometry to four equivalent Re(1) atoms. In the second Au site, Au(2) is bonded in a 2-coordinate geometry to four equivalent Tl(1) atoms. There are a spread of Au(2)-Tl(1) bond distances ranging from 2.71-3.20 Å. Tl(1) is bonded in a 8-coordinate geometry to four equivalent Re(1) and four equivalent Au(2) atoms.