data_Tl2GaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaFe
_chemical_formula_sum   'Tl2 Ga1 Fe1'
_cell_volume   87.1
_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  0.61  0.91  0.62  1.0
  Tl  Tl3  1  0.61  0.09  0.62  1.0
  Ga  Ga1  1  0.21  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Tl2GaFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   105.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaFe
_chemical_formula_sum   'Tl2 Ga1 Fe1'
_cell_volume   87.1
_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  0.62  0.61  0.09  1.0
  Tl  Tl1  1  0.62  0.61  0.91  1.0
  Ga  Ga2  1  -0.0  0.21  0.0  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Tl Tl Ga Fe
Tl Tl Ga Fe 0 1 o + o 2 3 o o o 
FeGa(Tl)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one dithallium molecule and one FeGa cluster. In the FeGa cluster, Fe(1) is bonded in a 1-coordinate geometry to one Ga(1) atom. The Fe(1)-Ga(1) bond length is 1.12 Å. Ga(1) is bonded in a 1-coordinate geometry to one Fe(1) atom.