data_Ta11Nb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta11Nb5
_chemical_formula_sum   'Ta11 Nb5'
_cell_volume   291.96
_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  Ta5  1  0.01  0.0  0.01  1.0
  Ta  Ta6  1  0.31  0.0  0.01  1.0
  Ta  Ta7  1  0.66  0.98  0.97  1.0
  Ta  Ta8  1  0.97  0.98  0.97  1.0
  Ta  Ta9  1  0.97  0.98  0.66  1.0
  Ta  Ta10  1  0.0  0.32  0.01  1.0
  Ta  Ta11  1  0.01  0.32  0.31  1.0
  Ta  Ta12  1  0.31  0.32  0.31  1.0
  Ta  Ta13  1  0.66  0.66  0.97  1.0
  Ta  Ta14  1  0.97  0.66  0.97  1.0
  Ta  Ta15  1  0.97  0.66  0.66  1.0
  Nb  Nb0  1  0.0  0.0  0.31  1.0
  Nb  Nb1  1  0.31  0.0  0.31  1.0
  Nb  Nb2  1  0.66  0.98  0.66  1.0
  Nb  Nb3  1  0.31  0.32  0.01  1.0
  Nb  Nb4  1  0.66  0.66  0.66  1.0

data_Ta11Nb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.64
_cell_angle_alpha   90.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta11Nb5
_chemical_formula_sum   'Ta11 Nb5'
_cell_volume   291.96
_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  0.69  0.99  1.0
  Ta  Ta1  1  0.0  0.99  0.99  1.0
  Ta  Ta2  1  0.02  0.34  0.03  1.0
  Ta  Ta3  1  0.02  0.03  0.34  1.0
  Ta  Ta4  1  0.02  0.03  0.03  1.0
  Ta  Ta5  1  0.34  0.03  0.03  1.0
  Ta  Ta6  1  0.34  0.03  0.34  1.0
  Ta  Ta7  1  0.34  0.34  0.03  1.0
  Ta  Ta8  1  0.68  0.69  0.69  1.0
  Ta  Ta9  1  0.68  0.99  0.69  1.0
  Ta  Ta10  1  0.68  1.0  0.99  1.0
  Nb  Nb11  1  0.0  0.69  0.69  1.0
  Nb  Nb12  1  0.0  1.0  0.69  1.0
  Nb  Nb13  1  0.02  0.34  0.34  1.0
  Nb  Nb14  1  0.34  0.34  0.34  1.0
  Nb  Nb15  1  0.68  0.69  0.99  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Nb Nb Nb Nb Nb
Ta11Nb5 crystallizes in the triclinic P1 space group. There are eleven inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Ta(2), one Ta(4), one Ta(6), and one Nb(1) atom. The Ta(1)-Ta(2) bond length is 2.03 Å. The Ta(1)-Ta(4) bond length is 0.34 Å. The Ta(1)-Ta(6) bond length is 2.10 Å. The Ta(1)-Nb(1) bond length is 2.04 Å. In the second Ta site, Ta(2) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), one Ta(3), one Nb(2), and one Nb(4) atom. The Ta(2)-Ta(3) bond length is 2.33 Å. The Ta(2)-Nb(2) bond length is 2.03 Å. The Ta(2)-Nb(4) bond length is 2.10 Å. In the third Ta site, Ta(3) is bonded in a distorted rectangular see-saw-like geometry to one Ta(2), one Ta(4), one Ta(9), and one Nb(3) atom. The Ta(3)-Ta(4) bond length is 2.07 Å. The Ta(3)-Ta(9) bond length is 2.13 Å. The Ta(3)-Nb(3) bond length is 2.07 Å. In the fourth Ta site, Ta(4) is bonded in a single-bond geometry to one Ta(1), one Ta(10), one Ta(3), and one Ta(5) atom. The Ta(4)-Ta(10) bond length is 2.13 Å. The Ta(4)-Ta(5) bond length is 2.08 Å. In the fifth Ta site, Ta(5) is bonded in a distorted rectangular see-saw-like geometry to one Ta(11), one Ta(4), one Nb(1), and one Nb(3) atom. The Ta(5)-Ta(11) bond length is 2.13 Å. The Ta(5)-Nb(1) bond length is 2.33 Å. The Ta(5)-Nb(3) bond length is 2.07 Å. In the sixth Ta site, Ta(6) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), one Ta(10), one Ta(7), and one Nb(4) atom. The Ta(6)-Ta(10) bond length is 2.27 Å. The Ta(6)-Ta(7) bond length is 2.04 Å. The Ta(6)-Nb(4) bond length is 2.04 Å. In the seventh Ta site, Ta(7) is bonded in a 3-coordinate geometry to one Ta(6), one Ta(8), and one Nb(1) atom. The Ta(7)-Ta(8) bond length is 2.03 Å. The Ta(7)-Nb(1) bond length is 2.10 Å. In the eighth Ta site, Ta(8) is bonded in a 3-coordinate geometry to one Ta(7), one Nb(2), and one Nb(4) atom. The Ta(8)-Nb(2) bond length is 2.10 Å. The Ta(8)-Nb(4) bond length is 2.04 Å. In the ninth Ta site, Ta(9) is bonded in a 4-coordinate geometry to one Ta(10), one Ta(3), one Nb(4), and one Nb(5) atom. The Ta(9)-Ta(10) bond length is 2.07 Å. The Ta(9)-Nb(4) bond length is 3.23 Å. The Ta(9)-Nb(5) bond length is 2.07 Å. In the tenth Ta site, Ta(10) is bonded in a rectangular see-saw-like geometry to one Ta(11), one Ta(4), one Ta(6), and one Ta(9) atom. The Ta(10)-Ta(11) bond length is 2.08 Å. In the eleventh Ta site, Ta(11) is bonded in a 3-coordinate geometry to one Ta(10), one Ta(5), and one Nb(5) atom. The Ta(11)-Nb(5) bond length is 2.07 Å. There are five inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), one Ta(5), one Ta(7), and one Nb(2) atom. The Nb(1)-Nb(2) bond length is 2.03 Å. In the second Nb site, Nb(2) is bonded in a 3-coordinate geometry to one Ta(2), one Ta(8), and one Nb(1) atom. In the third Nb site, Nb(3) is bonded in a 3-coordinate geometry to one Ta(3), one Ta(5), and one Nb(5) atom. The Nb(3)-Nb(5) bond length is 2.14 Å. In the fourth Nb site, Nb(4) is bonded in a 3-coordinate geometry to one Ta(2), one Ta(6), one Ta(8), and one Ta(9) atom. In the fifth Nb site, Nb(5) is bonded in a 3-coordinate geometry to one Ta(11), one Ta(9), and one Nb(3) atom.