data_Ta3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3In
_chemical_formula_sum   'Ta3 In1'
_cell_volume   86.74
_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  0.54  0.24  0.57  1.0
  Ta  Ta2  1  0.54  0.76  0.57  1.0
  Ta  Ta3  1  0.08  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Ta3In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   111.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3In
_chemical_formula_sum   'Ta3 In1'
_cell_volume   86.74
_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  0.08  0.0  1.0
  Ta  Ta1  1  0.57  0.54  0.24  1.0
  Ta  Ta2  1  0.57  0.54  0.76  1.0
  In  In3  1  0.0  0.0  0.0  1.0

Ta Ta Ta In
Ta Ta Ta In 0 3 o o o 0 3 o o + 0 2 o o o 0 2 o o + 0 1 o o o 0 1 o - o 0 0 o o + 1 3 + + o 1 3 + + + 1 2 + + o 1 2 + + + 1 1 o o + 2 3 o o o 
Ta3In crystallizes in the triclinic P1 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), and two equivalent In(1) atoms. Both Ta(1)-Ta(1) bond lengths are 3.15 Å. There is one shorter (2.59 Å) and one longer (2.84 Å) Ta(1)-Ta(2) bond length. There is one shorter (2.73 Å) and one longer (2.98 Å) Ta(1)-Ta(3) bond length. There is one shorter (3.48 Å) and one longer (3.68 Å) Ta(1)-In(1) bond length. In the second Ta site, Ta(2) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent In(1) atoms. There is one shorter (2.73 Å) and one longer (2.98 Å) Ta(2)-In(1) bond length. In the third Ta site, Ta(3) is bonded in a single-bond geometry to two equivalent Ta(1) and one In(1) atom. The Ta(3)-In(1) bond length is 0.42 Å. In(1) is bonded in a single-bond geometry to one Ta(3), two equivalent Ta(1), and two equivalent Ta(2) atoms.