data_TaIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn3
_chemical_formula_sum   'Ta1 In3'
_cell_volume   86.73
_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  Ta3  1  0.02  0.0  0.0  1.0
  In  In0  1  0.51  0.71  0.57  1.0
  In  In1  1  0.51  0.29  0.57  1.0
  In  In2  1  0.0  0.0  0.0  1.0

data_TaIn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   113.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn3
_chemical_formula_sum   'Ta1 In3'
_cell_volume   86.73
_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  0.02  0.0  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.57  0.51  0.29  1.0
  In  In3  1  0.57  0.51  0.71  1.0

Ta In In In
TaIn3 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a single-bond geometry to one In(3) and two equivalent In(2) atoms. The Ta(1)-In(3) bond length is 0.14 Å. There is one shorter (2.86 Å) and one longer (3.08 Å) Ta(1)-In(2) bond length. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. Both In(1)-In(1) bond lengths are 3.13 Å. There is one shorter (2.34 Å) and one longer (3.14 Å) In(1)-In(2) bond length. There is one shorter (2.86 Å) and one longer (3.08 Å) In(1)-In(3) bond length. In the second In site, In(2) is bonded in a 6-coordinate geometry to two equivalent Ta(1), two equivalent In(1), and two equivalent In(2) atoms. Both In(2)-In(2) bond lengths are 3.13 Å. In the third In site, In(3) is bonded in a single-bond geometry to one Ta(1) and two equivalent In(1) atoms.