data_Ta5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Si3
_chemical_formula_sum   'Ta10 Si6'
_cell_volume   258.45
_cell_formula_units_Z   2
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  Ta6  1  0.76  0.17  0.0  1.0
  Ta  Ta7  1  0.0  0.34  0.0  1.0
  Ta  Ta8  1  0.85  0.0  0.32  1.0
  Ta  Ta9  1  0.08  0.6  0.32  1.0
  Ta  Ta10  1  0.84  0.92  0.32  1.0
  Ta  Ta11  1  0.76  0.17  0.64  1.0
  Ta  Ta12  1  0.0  0.34  0.64  1.0
  Ta  Ta13  1  0.68  0.0  0.95  1.0
  Ta  Ta14  1  0.92  0.6  0.95  1.0
  Ta  Ta15  1  0.16  0.92  0.95  1.0
  Si  Si0  1  0.55  0.0  0.32  1.0
  Si  Si1  1  0.49  0.58  0.32  1.0
  Si  Si2  1  0.73  0.94  0.32  1.0
  Si  Si3  1  0.98  0.0  0.95  1.0
  Si  Si4  1  0.51  0.58  0.95  1.0
  Si  Si5  1  0.27  0.94  0.95  1.0

data_Ta5Si3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   7.52
_cell_length_c   7.52
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Si3
_chemical_formula_sum   'Ta10 Si6'
_cell_volume   258.45
_cell_formula_units_Z   2
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  0.76  0.17  1.0
  Ta  Ta1  1  0.0  0.0  0.34  1.0
  Ta  Ta2  1  0.32  0.08  0.6  1.0
  Ta  Ta3  1  0.32  0.84  0.92  1.0
  Ta  Ta4  1  0.32  0.85  0.0  1.0
  Ta  Ta5  1  0.64  0.0  0.34  1.0
  Ta  Ta6  1  0.64  0.76  0.17  1.0
  Ta  Ta7  1  0.95  0.16  0.92  1.0
  Ta  Ta8  1  0.95  0.68  0.0  1.0
  Ta  Ta9  1  0.95  0.92  0.6  1.0
  Si  Si10  1  0.32  0.49  0.58  1.0
  Si  Si11  1  0.32  0.55  0.0  1.0
  Si  Si12  1  0.32  0.73  0.94  1.0
  Si  Si13  1  0.95  0.27  0.94  1.0
  Si  Si14  1  0.95  0.51  0.58  1.0
  Si  Si15  1  0.95  0.98  0.0  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Si Si Si Si Si Si
Ta5Si3 crystallizes in the triclinic P1 space group. There are ten inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 1-coordinate geometry to one Ta(2), one Ta(8), and one Si(1) atom. The Ta(1)-Ta(2) bond length is 1.60 Å. The Ta(1)-Ta(8) bond length is 1.15 Å. The Ta(1)-Si(1) bond length is 2.24 Å. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one Ta(1), one Ta(4), one Ta(7), one Ta(9), one Si(4), and one Si(5) atom. The Ta(2)-Ta(4) bond length is 2.39 Å. The Ta(2)-Ta(7) bond length is 1.92 Å. The Ta(2)-Ta(9) bond length is 2.27 Å. The Ta(2)-Si(4) bond length is 2.51 Å. The Ta(2)-Si(5) bond length is 3.35 Å. In the third Ta site, Ta(3) is bonded in a distorted single-bond geometry to one Ta(5) and one Si(3) atom. The Ta(3)-Ta(5) bond length is 0.60 Å. The Ta(3)-Si(3) bond length is 0.78 Å. In the fourth Ta site, Ta(4) is bonded in a 6-coordinate geometry to one Ta(2), one Ta(7), one Ta(9), one Si(1), one Si(2), and one Si(6) atom. The Ta(4)-Ta(7) bond length is 2.39 Å. The Ta(4)-Ta(9) bond length is 2.25 Å. The Ta(4)-Si(1) bond length is 3.31 Å. The Ta(4)-Si(2) bond length is 3.17 Å. The Ta(4)-Si(6) bond length is 2.94 Å. In the fifth Ta site, Ta(5) is bonded in a 2-coordinate geometry to one Ta(3), one Si(2), and one Si(3) atom. The Ta(5)-Si(2) bond length is 2.60 Å. The Ta(5)-Si(3) bond length is 0.94 Å. In the sixth Ta site, Ta(6) is bonded in a 2-coordinate geometry to one Ta(7) and one Si(1) atom. The Ta(6)-Ta(7) bond length is 1.60 Å. The Ta(6)-Si(1) bond length is 2.24 Å. In the seventh Ta site, Ta(7) is bonded in a 3-coordinate geometry to one Ta(2), one Ta(4), and one Ta(6) atom. In the eighth Ta site, Ta(8) is bonded in a 1-coordinate geometry to one Ta(1), one Si(1), and one Si(5) atom. The Ta(8)-Si(1) bond length is 2.16 Å. The Ta(8)-Si(5) bond length is 2.77 Å. In the ninth Ta site, Ta(9) is bonded in a 4-coordinate geometry to one Ta(10), one Ta(2), one Ta(4), and one Si(5) atom. The Ta(9)-Ta(10) bond length is 2.17 Å. The Ta(9)-Si(5) bond length is 3.02 Å. In the tenth Ta site, Ta(10) is bonded in a distorted bent 150 degrees geometry to one Ta(9), one Si(4), and one Si(6) atom. The Ta(10)-Si(4) bond length is 1.78 Å. The Ta(10)-Si(6) bond length is 0.79 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to one Ta(1), one Ta(4), one Ta(6), one Ta(8), one Si(3), and one Si(6) atom. The Si(1)-Si(3) bond length is 1.63 Å. The Si(1)-Si(6) bond length is 2.68 Å. In the second Si site, Si(2) is bonded in a distorted trigonal pyramidal geometry to one Ta(4), one Ta(5), one Si(3), and one Si(5) atom. The Si(2)-Si(3) bond length is 2.39 Å. The Si(2)-Si(5) bond length is 1.93 Å. In the third Si site, Si(3) is bonded in a distorted single-bond geometry to one Ta(3), one Ta(5), one Si(1), and one Si(2) atom. In the fourth Si site, Si(4) is bonded in a 1-coordinate geometry to one Ta(10) and one Ta(2) atom. In the fifth Si site, Si(5) is bonded in a 4-coordinate geometry to one Ta(2), one Ta(8), one Ta(9), and one Si(2) atom. In the sixth Si site, Si(6) is bonded in a single-bond geometry to one Ta(10), one Ta(4), and one Si(1) atom.