data_Ta2TlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlCd
_chemical_formula_sum   'Ta2 Tl1 Cd1'
_cell_volume   83.76
_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  Ta1  1  0.73  0.0  0.56  1.0
  Ta  Ta2  1  0.0  0.0  0.45  1.0
  Tl  Tl3  1  0.73  0.0  0.94  1.0
  Cd  Cd0  1  0.0  0.0  0.28  1.0

data_Ta2TlCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlCd
_chemical_formula_sum   'Ta2 Tl1 Cd1'
_cell_volume   83.76
_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  0.0  0.45  1.0
  Ta  Ta1  1  0.73  0.0  0.56  1.0
  Tl  Tl2  1  0.73  0.0  0.94  1.0
  Cd  Cd3  1  0.0  0.0  0.28  1.0

Ta Ta Tl Cd
Ta Ta Tl Cd 0 1 + o o 0 2 o o o 1 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 + o + 
Ta2CdTl crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Ta(2) and one Tl(1) atom. The Ta(1)-Ta(2) bond length is 1.34 Å. The Ta(1)-Tl(1) bond length is 3.68 Å. In the second Ta site, Ta(2) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Cd(1) atom. The Ta(2)-Cd(1) bond length is 1.67 Å. Cd(1) is bonded in a single-bond geometry to one Ta(2) and one Tl(1) atom. The Cd(1)-Tl(1) bond length is 3.41 Å. Tl(1) is bonded to one Ta(1), one Cd(1), and six equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing TlTaTl6Cd hexagonal bipyramids. There are four shorter (3.04 Å) and two longer (3.45 Å) Tl(1)-Tl(1) bond lengths.