data_TaCd2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   19.0
_cell_angle_beta   19.0
_cell_angle_gamma   19.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2B
_chemical_formula_sum   'Ta1 Cd2 B1'
_cell_volume   68.72
_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  0.0  0.0  0.33  1.0
  Cd  Cd1  1  0.0  0.0  0.02  1.0
  Cd  Cd2  1  0.0  0.0  0.64  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_TaCd2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   2.99
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   100.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCd2B
_chemical_formula_sum   'Ta2 Cd4 B2'
_cell_volume   137.43
_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  0.67  1.0
  Cd  Cd1  2  0.0  0.0  0.36  1.0
  Cd  Cd2  2  0.0  0.0  0.98  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Ta Cd Cd B
Ta Cd Cd B 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o - 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o + 
TaCd2B crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TaCd2B clusters. Ta(1) is bonded in a distorted linear geometry to one Cd(1) and one Cd(2) atom. The Ta(1)-Cd(1) bond length is 2.82 Å. The Ta(1)-Cd(2) bond length is 2.82 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Ta(1) and one B(1) atom. The Cd(1)-B(1) bond length is 0.18 Å. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Ta(1) atom. B(1) is bonded in a single-bond geometry to one Cd(1) atom.