data_CdTc2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.97
_cell_angle_alpha   99.81
_cell_angle_beta   99.81
_cell_angle_gamma   33.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2Ir
_chemical_formula_sum   'Cd1 Tc2 Ir1'
_cell_volume   63.47
_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
  Cd  Cd0  1  0.22  0.0  0.48  1.0
  Tc  Tc2  1  0.24  0.0  0.06  1.0
  Tc  Tc3  1  0.68  0.0  0.04  1.0
  Ir  Ir1  1  0.75  0.0  0.75  1.0

data_CdTc2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.85
_cell_length_c   4.97
_cell_angle_alpha   99.81
_cell_angle_beta   90.0
_cell_angle_gamma   106.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2Ir
_chemical_formula_sum   'Cd1 Tc2 Ir1'
_cell_volume   63.47
_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
  Cd  Cd0  1  0.0  0.78  0.52  1.0
  Tc  Tc1  1  0.0  0.32  0.96  1.0
  Tc  Tc2  1  0.0  0.76  0.94  1.0
  Ir  Ir3  1  0.0  0.25  0.25  1.0

Cd Tc Tc Ir
Cd Tc Tc Ir 0 1 o o o 1 2 o o o 2 3 o o - 
TcIrTcCd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TcCd cluster and one TcIr cluster. In the TcCd cluster, Tc(1) is bonded in a 1-coordinate geometry to one Cd(1) atom. The Tc(1)-Cd(1) bond length is 2.11 Å. Cd(1) is bonded in a 1-coordinate geometry to one Tc(1) atom. In the TcIr cluster, Tc(2) is bonded in a single-bond geometry to one Ir(1) atom. The Tc(2)-Ir(1) bond length is 1.56 Å. Ir(1) is bonded in a distorted single-bond geometry to one Tc(2) atom.