data_Ta3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Si
_chemical_formula_sum   'Ta3 Si1'
_cell_volume   67.59
_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  0.49  0.61  0.76  1.0
  Ta  Ta2  1  0.49  0.39  0.76  1.0
  Ta  Ta3  1  0.98  0.0  0.0  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_Ta3Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   94.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Si
_chemical_formula_sum   'Ta3 Si1'
_cell_volume   67.59
_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  0.98  0.0  1.0
  Ta  Ta1  1  0.76  0.49  0.39  1.0
  Ta  Ta2  1  0.76  0.49  0.61  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ta Ta Ta Si
Ta3Si is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta3Si cluster. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 1-coordinate geometry to one Ta(2) atom. The Ta(1)-Ta(2) bond length is 0.97 Å. In the second Ta site, Ta(2) is bonded in a distorted bent 120 degrees geometry to one Ta(1) and one Si(1) atom. The Ta(2)-Si(1) bond length is 2.78 Å. In the third Ta site, Ta(3) is bonded in a single-bond geometry to one Si(1) atom. The Ta(3)-Si(1) bond length is 0.08 Å. Si(1) is bonded in a single-bond geometry to one Ta(2) and one Ta(3) atom.