data_TlInGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   130.51
_cell_angle_beta   130.51
_cell_angle_gamma   72.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInGa2
_chemical_formula_sum   'Tl1 In1 Ga2'
_cell_volume   96.6
_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  0.47  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.32  0.24  1.0
  Ga  Ga1  1  0.32  0.0  0.24  1.0

data_TlInGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   126.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlInGa2
_chemical_formula_sum   'Tl2 In2 Ga4'
_cell_volume   193.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.03  0.5  0.53  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  4  0.42  0.34  0.09  1.0

Tl In Ga Ga
Tl In Ga Ga 0 2 o o o 0 2 o o + 0 2 o - o 0 3 - o o 0 3 o o o 0 3 o o + 0 1 o o o 0 1 o o + 1 2 o o o 1 3 o o o 
TlInGa2 crystallizes in the monoclinic Cm space group. Tl(1) is bonded in a distorted hexagonal planar geometry to two equivalent In(1) and four equivalent Ga(1) atoms. There is one shorter (2.63 Å) and one longer (2.92 Å) Tl(1)-In(1) bond length. There are two shorter (2.83 Å) and two longer (3.07 Å) Tl(1)-Ga(1) bond lengths. In(1) is bonded in a water-like geometry to two equivalent Tl(1) and two equivalent Ga(1) atoms. Both In(1)-Ga(1) bond lengths are 1.37 Å. Ga(1) is bonded in a distorted single-bond geometry to two equivalent Tl(1) and one In(1) atom.