data_Ta2CdSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93
_cell_length_b   9.93
_cell_length_c   9.93
_cell_angle_alpha   17.83
_cell_angle_beta   17.83
_cell_angle_gamma   17.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdSb
_chemical_formula_sum   'Ta2 Cd1 Sb1'
_cell_volume   80.07
_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  0.02  1.0
  Ta  Ta3  1  0.0  0.0  0.28  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.65  1.0

data_Ta2CdSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   3.08
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2CdSb
_chemical_formula_sum   'Ta4 Cd2 Sb2'
_cell_volume   160.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.72  1.0
  Ta  Ta1  2  0.0  0.0  0.98  1.0
  Cd  Cd2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.35  1.0

Ta Ta Cd Sb
Ta Ta Cd Sb 0 2 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 
Ta2CdSb crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Ta(2) and one Cd(1) atom. The Ta(1)-Ta(2) bond length is 2.54 Å. The Ta(1)-Cd(1) bond length is 0.20 Å. In the second Ta site, Ta(2) is bonded to one Ta(1), six equivalent Ta(2), and one Sb(1) atom to form distorted TaTa7Sb hexagonal bipyramids that share corners with six equivalent Ta(2)Ta7Sb hexagonal bipyramids, edges with six equivalent Sb(1)TaCdSb6 hexagonal bipyramids, and edges with twelve equivalent Ta(2)Ta7Sb hexagonal bipyramids. All Ta(2)-Ta(2) bond lengths are 3.08 Å. The Ta(2)-Sb(1) bond length is 3.69 Å. Cd(1) is bonded in a single-bond geometry to one Ta(1) and one Sb(1) atom. The Cd(1)-Sb(1) bond length is 3.49 Å. Sb(1) is bonded to one Ta(2), one Cd(1), and six equivalent Sb(1) atoms to form SbTaCdSb6 hexagonal bipyramids that share corners with six equivalent Sb(1)TaCdSb6 hexagonal bipyramids, edges with six equivalent Ta(2)Ta7Sb hexagonal bipyramids, and edges with twelve equivalent Sb(1)TaCdSb6 hexagonal bipyramids. All Sb(1)-Sb(1) bond lengths are 3.08 Å.