data_TlCdGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   131.72
_cell_angle_beta   131.72
_cell_angle_gamma   70.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdGa2
_chemical_formula_sum   'Tl1 Cd1 Ga2'
_cell_volume   93.04
_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  0.27  0.0  0.26  1.0
  Cd  Cd0  1  0.0  0.0  0.52  1.0
  Ga  Ga1  1  0.0  0.27  0.26  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0

data_TlCdGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.54
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdGa2
_chemical_formula_sum   'Tl1 Cd1 Ga2'
_cell_volume   93.04
_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  0.74  0.0  0.01  1.0
  Cd  Cd1  1  0.48  0.0  0.48  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.01  0.27  0.01  1.0

Tl Cd Ga Ga
CdTlGa2 crystallizes in the triclinic P1 space group. Cd(1) is bonded in a 5-coordinate geometry to two equivalent Tl(1), one Ga(2), and two equivalent Ga(1) atoms. There is one shorter (2.68 Å) and one longer (3.28 Å) Cd(1)-Tl(1) bond length. The Cd(1)-Ga(2) bond length is 2.64 Å. There is one shorter (2.68 Å) and one longer (3.28 Å) Cd(1)-Ga(1) bond length. Tl(1) is bonded in a single-bond geometry to two equivalent Cd(1) and one Ga(2) atom. The Tl(1)-Ga(2) bond length is 1.20 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to two equivalent Cd(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.20 Å. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one Cd(1), one Tl(1), and one Ga(1) atom.