data_TaCd2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   2.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2Cu
_chemical_formula_sum   'Ta1 Cd2 Cu1'
_cell_volume   73.04
_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  Ta3  1  0.95  0.0  0.0  1.0
  Cd  Cd0  1  0.48  0.75  0.38  1.0
  Cd  Cd1  1  0.48  0.25  0.38  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_TaCd2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   113.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2Cu
_chemical_formula_sum   'Ta1 Cd2 Cu1'
_cell_volume   73.04
_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  0.95  0.0  1.0
  Cd  Cd1  1  0.38  0.48  0.25  1.0
  Cd  Cd2  1  0.38  0.48  0.75  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Ta Cd Cd Cu
Ta Cd Cd Cu 0 3 + o o 0 1 o - o 0 1 o - - 0 2 + o o 0 2 + o - 1 2 o + o 1 2 o o o 1 3 + + o 1 3 + + + 1 1 o o + 2 3 o o o 2 3 o o + 2 2 o o + 
TaCuCd2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a single-bond geometry to one Cu(1) and two equivalent Cd(1) atoms. The Ta(1)-Cu(1) bond length is 0.26 Å. There is one shorter (2.59 Å) and one longer (2.93 Å) Ta(1)-Cd(1) bond length. Cu(1) is bonded in a single-bond geometry to one Ta(1) and one Cd(2) atom. The Cu(1)-Cd(2) bond length is 2.59 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to two equivalent Ta(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. Both Cd(1)-Cd(1) bond lengths are 2.75 Å. There is one shorter (2.66 Å) and one longer (2.71 Å) Cd(1)-Cd(2) bond length. In the second Cd site, Cd(2) is bonded in a 1-coordinate geometry to one Cu(1) and two equivalent Cd(1) atoms.