data_Tl2CdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdGa
_chemical_formula_sum   'Tl2 Cd1 Ga1'
_cell_volume   99.46
_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  0.52  0.52  0.52  1.0
  Tl  Tl3  1  0.84  0.84  0.84  1.0
  Cd  Cd0  1  0.68  0.68  0.68  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_Tl2CdGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tl2CdGa
_chemical_formula_sum   'Tl6 Cd3 Ga3'
_cell_volume   298.37
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.16  1.0
  Tl  Tl1  3  0.0  0.0  0.48  1.0
  Cd  Cd2  3  0.0  0.0  0.32  1.0
  Ga  Ga3  3  0.0  0.0  0.0  1.0

Tl Tl Cd Ga
CdTl2Ga crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Tl(1), one Tl(2), and three equivalent Ga(1) atoms to form distorted CdTl2Ga3 trigonal bipyramids that share corners with six equivalent Cd(1)Tl2Ga3 trigonal bipyramids and  a cornercorner with one Ga(1)TlCd3 trigonal pyramid. The Cd(1)-Tl(1) bond length is 2.06 Å. The Cd(1)-Tl(2) bond length is 2.06 Å. All Cd(1)-Ga(1) bond lengths are 3.01 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. In the second Tl site, Tl(2) is bonded in a linear geometry to one Cd(1) and one Ga(1) atom. The Tl(2)-Ga(1) bond length is 2.06 Å. Ga(1) is bonded to three equivalent Cd(1) and one Tl(2) atom to form distorted GaTlCd3 trigonal pyramids that share  a cornercorner with one Cd(1)Tl2Ga3 trigonal bipyramid and corners with six equivalent Ga(1)TlCd3 trigonal pyramids.