data_TcIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   6.5
_cell_angle_alpha   103.8
_cell_angle_beta   103.8
_cell_angle_gamma   30.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcIr5
_chemical_formula_sum   'Tc1 Ir5'
_cell_volume   87.09
_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
  Tc  Tc5  1  0.74  0.0  0.95  1.0
  Ir  Ir0  1  0.4  0.0  0.29  1.0
  Ir  Ir1  1  0.44  0.0  0.71  1.0
  Ir  Ir2  1  0.18  0.0  0.09  1.0
  Ir  Ir3  1  0.6  0.0  0.88  1.0
  Ir  Ir4  1  0.26  0.0  0.21  1.0

data_TcIr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.21
_cell_length_c   6.5
_cell_angle_alpha   103.8
_cell_angle_beta   90.0
_cell_angle_gamma   105.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcIr5
_chemical_formula_sum   'Tc1 Ir5'
_cell_volume   87.09
_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
  Tc  Tc0  1  0.0  0.26  0.05  1.0
  Ir  Ir1  1  0.0  0.4  0.12  1.0
  Ir  Ir2  1  0.0  0.56  0.29  1.0
  Ir  Ir3  1  0.0  0.6  0.71  1.0
  Ir  Ir4  1  0.0  0.74  0.79  1.0
  Ir  Ir5  1  0.0  0.82  0.91  1.0

Tc Ir Ir Ir Ir Ir
Tc Ir Ir Ir Ir Ir 0 4 o o o 1 5 o o o 2 4 o o o 3 5 o o o 
TcIr5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TcIr5 cluster. Tc(1) is bonded in a distorted single-bond geometry to one Ir(3) and one Ir(4) atom. The Tc(1)-Ir(3) bond length is 2.25 Å. The Tc(1)-Ir(4) bond length is 0.77 Å. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Ir(5) atom. The Ir(1)-Ir(5) bond length is 0.79 Å. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Ir(4) atom. The Ir(2)-Ir(4) bond length is 1.18 Å. In the third Ir site, Ir(3) is bonded in a 2-coordinate geometry to one Tc(1) and one Ir(5) atom. The Ir(3)-Ir(5) bond length is 0.81 Å. In the fourth Ir site, Ir(4) is bonded in a distorted single-bond geometry to one Tc(1) and one Ir(2) atom. In the fifth Ir site, Ir(5) is bonded in a bent 150 degrees geometry to one Ir(1) and one Ir(3) atom.