data_Tl2GaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaIr
_chemical_formula_sum   'Tl2 Ga1 Ir1'
_cell_volume   84.34
_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  0.78  0.18  0.62  1.0
  Tl  Tl3  1  0.78  0.82  0.62  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.56  0.0  0.0  1.0

data_Tl2GaIr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl2GaIr
_chemical_formula_sum   'Tl2 Ga1 Ir1'
_cell_volume   84.37
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.62  0.18  0.78  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.56  1.0

Tl Tl Ga Ir
IrTl2Ga is T-50 Boron-derived structured and crystallizes in the monoclinic Pm space group. Ir(1) is bonded in a 6-coordinate geometry to four equivalent Tl(1) and two equivalent Ga(1) atoms. There are two shorter (1.89 Å) and two longer (2.48 Å) Ir(1)-Tl(1) bond lengths. There is one shorter (2.25 Å) and one longer (2.85 Å) Ir(1)-Ga(1) bond length. Tl(1) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Tl(1), and two equivalent Ga(1) atoms. There is one shorter (1.79 Å) and one longer (3.31 Å) Tl(1)-Tl(1) bond length. There is one shorter (1.89 Å) and one longer (2.48 Å) Tl(1)-Ga(1) bond length. Ga(1) is bonded in a distorted hexagonal planar geometry to two equivalent Ir(1) and four equivalent Tl(1) atoms.