data_Ta2CdIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   149.34
_cell_angle_beta   129.11
_cell_angle_gamma   60.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdIr
_chemical_formula_sum   'Ta2 Cd1 Ir1'
_cell_volume   71.62
_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  Ta2  1  0.0  0.0  0.67  1.0
  Ta  Ta3  1  0.5  0.0  0.3  1.0
  Cd  Cd0  1  0.0  0.0  0.05  1.0
  Ir  Ir1  1  0.0  0.44  0.58  1.0

data_Ta2CdIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.87
_cell_length_c   5.67
_cell_angle_alpha   115.45
_cell_angle_beta   105.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdIr
_chemical_formula_sum   'Ta2 Cd1 Ir1'
_cell_volume   71.62
_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  0.3  0.8  1.0
  Ta  Ta1  1  0.0  0.67  0.67  1.0
  Cd  Cd2  1  0.0  0.05  0.05  1.0
  Ir  Ir3  1  0.56  0.14  0.14  1.0

Ta Ta Cd Ir
Ta Ta Cd Ir 0 1 - o o 0 2 o o + 1 3 o - - 1 2 o o o 2 3 o o o 2 3 o - - 
Ta2IrCd crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 3-coordinate geometry to one Ta(2), one Ir(1), and one Cd(1) atom. The Ta(1)-Ta(2) bond length is 2.22 Å. The Ta(1)-Ir(1) bond length is 2.91 Å. The Ta(1)-Cd(1) bond length is 2.15 Å. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Ta(1), one Ir(1), and one Cd(1) atom. The Ta(2)-Ir(1) bond length is 2.60 Å. The Ta(2)-Cd(1) bond length is 2.23 Å. Ir(1) is bonded in a distorted bent 150 degrees geometry to one Ta(1), one Ta(2), and two equivalent Cd(1) atoms. There is one shorter (1.55 Å) and one longer (1.63 Å) Ir(1)-Cd(1) bond length. Cd(1) is bonded in a 4-coordinate geometry to one Ta(1), one Ta(2), and two equivalent Ir(1) atoms.