data_Ta2VCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07
_cell_length_b   10.07
_cell_length_c   10.07
_cell_angle_alpha   16.53
_cell_angle_beta   16.53
_cell_angle_gamma   16.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VCd
_chemical_formula_sum   'Ta2 V1 Cd1'
_cell_volume   72.11
_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  0.0  0.0  0.21  1.0
  Ta  Ta2  1  0.0  0.0  0.58  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.89  1.0

data_Ta2VCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   2.9
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   99.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2VCd
_chemical_formula_sum   'Ta4 V2 Cd2'
_cell_volume   144.22
_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  0.42  1.0
  Ta  Ta1  2  0.0  0.0  0.79  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Cd  Cd3  2  0.0  0.0  0.11  1.0

Ta Ta V Cd
Ta2VCd 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 V(1) atom. The Ta(1)-Ta(2) bond length is 3.65 Å. The Ta(1)-V(1) bond length is 2.15 Å. In the second Ta site, Ta(2) is bonded to one Ta(1), six equivalent Ta(2), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing TaTa7Cd hexagonal bipyramids. All Ta(2)-Ta(2) bond lengths are 2.90 Å. The Ta(2)-Cd(1) bond length is 3.21 Å. V(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Cd(1) atom. The V(1)-Cd(1) bond length is 1.06 Å. Cd(1) is bonded in a single-bond geometry to one Ta(2) and one V(1) atom.