data_Ta4Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4Ir5
_chemical_formula_sum   'Ta8 Ir10'
_cell_volume   294.07
_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  Ta10  1  0.0  0.0  0.76  1.0
  Ta  Ta11  1  0.0  0.0  0.0  1.0
  Ta  Ta12  1  0.04  0.0  0.14  1.0
  Ta  Ta13  1  0.48  0.37  0.14  1.0
  Ta  Ta14  1  0.4  0.43  0.14  1.0
  Ta  Ta15  1  0.8  0.0  0.38  1.0
  Ta  Ta16  1  0.6  0.43  0.38  1.0
  Ta  Ta17  1  0.52  0.37  0.38  1.0
  Ir  Ir0  1  0.43  0.0  0.14  1.0
  Ir  Ir1  1  0.78  0.11  0.14  1.0
  Ir  Ir2  1  0.71  0.69  0.14  1.0
  Ir  Ir3  1  0.41  0.0  0.38  1.0
  Ir  Ir4  1  0.29  0.69  0.38  1.0
  Ir  Ir5  1  0.22  0.11  0.38  1.0
  Ir  Ir6  1  0.0  0.53  0.76  1.0
  Ir  Ir7  1  0.92  0.26  0.0  1.0
  Ir  Ir8  1  0.92  0.26  0.76  1.0
  Ir  Ir9  1  0.0  0.53  0.0  1.0

data_Ta4Ir5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.52
_cell_length_b   7.84
_cell_length_c   7.84
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4Ir5
_chemical_formula_sum   'Ta8 Ir10'
_cell_volume   294.07
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.14  0.04  0.0  1.0
  Ta  Ta2  1  0.14  0.4  0.43  1.0
  Ta  Ta3  1  0.14  0.48  0.37  1.0
  Ta  Ta4  1  0.38  0.52  0.37  1.0
  Ta  Ta5  1  0.38  0.6  0.43  1.0
  Ta  Ta6  1  0.38  0.8  0.0  1.0
  Ta  Ta7  1  0.76  0.0  0.0  1.0
  Ir  Ir8  1  0.0  0.0  0.53  1.0
  Ir  Ir9  1  0.0  0.92  0.26  1.0
  Ir  Ir10  1  0.14  0.43  0.0  1.0
  Ir  Ir11  1  0.14  0.71  0.69  1.0
  Ir  Ir12  1  0.14  0.78  0.11  1.0
  Ir  Ir13  1  0.38  0.22  0.11  1.0
  Ir  Ir14  1  0.38  0.29  0.69  1.0
  Ir  Ir15  1  0.38  0.41  0.0  1.0
  Ir  Ir16  1  0.76  0.0  0.53  1.0
  Ir  Ir17  1  0.76  0.92  0.26  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir
Ta Ta Ta Ta Ta Ta Ta Ta Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir 0 1 o o + 1 2 o o o 1 10 - - o 2 10 - - o 2 13 o o o 3 4 o o o 3 10 o o o 4 10 o o o 5 9 o o o 5 10 o - o 6 7 o o o 6 10 o o o 7 10 o o o 7 13 o o o 8 11 o o o 8 12 o - o 9 15 o o o 11 12 o - o 11 13 o o o 14 17 o o + 15 16 o o - 
Ta4Ir5 crystallizes in the triclinic P1 space group. There are eight inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted T-shaped geometry to one Ta(2), one Ir(6), one Ir(7), and one Ir(9) atom. The Ta(1)-Ta(2) bond length is 1.32 Å. The Ta(1)-Ir(6) bond length is 2.56 Å. The Ta(1)-Ir(7) bond length is 3.70 Å. The Ta(1)-Ir(9) bond length is 2.44 Å. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to one Ta(1), one Ta(3), one Ir(2), one Ir(3), and one Ir(8) atom. The Ta(2)-Ta(3) bond length is 0.84 Å. The Ta(2)-Ir(2) bond length is 2.36 Å. The Ta(2)-Ir(3) bond length is 2.51 Å. The Ta(2)-Ir(8) bond length is 2.44 Å. In the third Ta site, Ta(3) is bonded in a bent 150 degrees geometry to one Ta(2), one Ir(3), and one Ir(6) atom. The Ta(3)-Ir(3) bond length is 2.55 Å. The Ta(3)-Ir(6) bond length is 1.78 Å. In the fourth Ta site, Ta(4) is bonded in a 2-coordinate geometry to one Ta(5), one Ta(8), and one Ir(3) atom. The Ta(4)-Ta(5) bond length is 0.95 Å. The Ta(4)-Ta(8) bond length is 1.36 Å. The Ta(4)-Ir(3) bond length is 2.24 Å. In the fifth Ta site, Ta(5) is bonded in a distorted single-bond geometry to one Ta(4), one Ir(3), and one Ir(5) atom. The Ta(5)-Ir(3) bond length is 2.24 Å. The Ta(5)-Ir(5) bond length is 2.89 Å. In the sixth Ta site, Ta(6) is bonded in a distorted single-bond geometry to one Ir(2), one Ir(3), one Ir(5), and one Ir(9) atom. The Ta(6)-Ir(2) bond length is 1.61 Å. The Ta(6)-Ir(3) bond length is 2.55 Å. The Ta(6)-Ir(5) bond length is 3.48 Å. The Ta(6)-Ir(9) bond length is 2.76 Å. In the seventh Ta site, Ta(7) is bonded in a 2-coordinate geometry to one Ta(8), one Ir(3), and one Ir(7) atom. The Ta(7)-Ta(8) bond length is 0.56 Å. The Ta(7)-Ir(3) bond length is 2.22 Å. The Ta(7)-Ir(7) bond length is 3.52 Å. In the eighth Ta site, Ta(8) is bonded in a 4-coordinate geometry to one Ta(4), one Ta(7), one Ir(4), and one Ir(6) atom. The Ta(8)-Ir(4) bond length is 2.55 Å. The Ta(8)-Ir(6) bond length is 2.24 Å. There are ten inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Ir(4) and one Ir(5) atom. The Ir(1)-Ir(4) bond length is 1.33 Å. The Ir(1)-Ir(5) bond length is 2.51 Å. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one Ta(2), one Ta(6), and one Ir(8) atom. The Ir(2)-Ir(8) bond length is 1.40 Å. In the third Ir site, Ir(3) is bonded in a 6-coordinate geometry to one Ta(2), one Ta(3), one Ta(4), one Ta(5), one Ta(6), and one Ta(7) atom. In the fourth Ir site, Ir(4) is bonded in a distorted single-bond geometry to one Ta(8), one Ir(1), and one Ir(5) atom. The Ir(4)-Ir(5) bond length is 2.15 Å. In the fifth Ir site, Ir(5) is bonded in a 6-coordinate geometry to one Ta(5), one Ta(6), one Ir(1), one Ir(10), one Ir(4), and one Ir(7) atom. The Ir(5)-Ir(10) bond length is 2.90 Å. The Ir(5)-Ir(7) bond length is 2.90 Å. In the sixth Ir site, Ir(6) is bonded in a 1-coordinate geometry to one Ta(1), one Ta(3), and one Ta(8) atom. In the seventh Ir site, Ir(7) is bonded in a 5-coordinate geometry to one Ta(1), one Ta(7), one Ir(10), one Ir(5), and one Ir(9) atom. The Ir(7)-Ir(10) bond length is 1.32 Å. The Ir(7)-Ir(9) bond length is 1.84 Å. In the eighth Ir site, Ir(8) is bonded in a 4-coordinate geometry to one Ta(2), one Ir(10), one Ir(2), and one Ir(9) atom. The Ir(8)-Ir(10) bond length is 1.84 Å. The Ir(8)-Ir(9) bond length is 1.32 Å. In the ninth Ir site, Ir(9) is bonded in a 4-coordinate geometry to one Ta(1), one Ta(6), one Ir(7), and one Ir(8) atom. In the tenth Ir site, Ir(10) is bonded in a 2-coordinate geometry to one Ir(5), one Ir(7), and one Ir(8) atom.