data_TlGaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   147.5
_cell_angle_beta   128.12
_cell_angle_gamma   62.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaRe2
_chemical_formula_sum   'Tl1 Ga1 Re2'
_cell_volume   67.73
_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  0.0  0.0  0.66  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.38  0.6  1.0
  Re  Re2  1  0.52  0.0  0.06  1.0

data_TlGaRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.77
_cell_length_c   5.45
_cell_angle_alpha   115.94
_cell_angle_beta   106.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaRe2
_chemical_formula_sum   'Tl1 Ga1 Re2'
_cell_volume   67.73
_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  Tl0  1  0.34  0.34  0.34  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.4  0.79  0.79  1.0
  Re  Re3  1  0.47  0.94  0.47  1.0

Tl Ga Re Re
Tl Ga Re Re 0 3 o o + 0 3 - o o 0 1 o o + 1 2 o o o 1 2 o - - 1 3 o o o 1 3 - o o 2 3 - o o 
Re2TlGa crystallizes in the triclinic P1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 4-coordinate geometry to one Re(2), one Tl(1), and two equivalent Ga(1) atoms. The Re(1)-Re(2) bond length is 2.22 Å. The Re(1)-Tl(1) bond length is 2.37 Å. There is one shorter (1.87 Å) and one longer (1.92 Å) Re(1)-Ga(1) bond length. In the second Re site, Re(2) is bonded in a 1-coordinate geometry to one Re(1) and two equivalent Tl(1) atoms. There is one shorter (2.29 Å) and one longer (2.63 Å) Re(2)-Tl(1) bond length. Tl(1) is bonded in a 4-coordinate geometry to one Re(1), two equivalent Re(2), and one Ga(1) atom. The Tl(1)-Ga(1) bond length is 1.87 Å. Ga(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Tl(1) atom.