data_TaTl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   3.19
_cell_angle_alpha   104.64
_cell_angle_beta   104.64
_cell_angle_gamma   118.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2In
_chemical_formula_sum   'Ta1 Tl2 In1'
_cell_volume   93.95
_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
  Ta  Ta1  1  0.17  0.0  0.0  1.0
  Tl  Tl2  1  0.8  0.32  0.38  1.0
  Tl  Tl3  1  0.8  0.68  0.38  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_TaTl2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.51
_cell_length_c   6.22
_cell_angle_alpha   116.16
_cell_angle_beta   104.64
_cell_angle_gamma   90.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2In
_chemical_formula_sum   'Ta1 Tl2 In1'
_cell_volume   93.95
_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
  Ta  Ta0  1  -0.0  0.0  0.17  1.0
  Tl  Tl1  1  0.06  0.68  0.47  1.0
  Tl  Tl2  1  0.71  0.32  0.12  1.0
  In  In3  1  0.0  0.0  0.0  1.0

Ta Tl Tl In
TaTl2In crystallizes in the triclinic P1 space group. Ta(1) is bonded in a single-bond geometry to one Tl(1), one Tl(2), and one In(1) atom. The Ta(1)-Tl(1) bond length is 3.08 Å. The Ta(1)-Tl(2) bond length is 2.13 Å. The Ta(1)-In(1) bond length is 1.07 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Ta(1), one Tl(2), and one In(1) atom. The Tl(1)-Tl(2) bond length is 2.19 Å. The Tl(1)-In(1) bond length is 3.02 Å. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to one Ta(1), one Tl(1), and two equivalent In(1) atoms. There is one shorter (1.95 Å) and one longer (2.59 Å) Tl(2)-In(1) bond length. In(1) is bonded in a distorted single-bond geometry to one Ta(1), one Tl(1), and two equivalent Tl(2) atoms.