data_CdTc2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2B
_chemical_formula_sum   'Cd1 Tc2 B1'
_cell_volume   55.53
_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
  Cd  Cd1  1  0.0  0.0  0.51  1.0
  Tc  Tc2  1  0.41  0.41  0.8  1.0
  Tc  Tc3  1  0.41  0.41  0.21  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_CdTc2B
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.01
_cell_length_b   3.98
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   CdTc2B
_chemical_formula_sum   'Cd2 Tc4 B2'
_cell_volume   111.05
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Cd  Cd0  2  0.5  0.0  0.0  1.0
  Tc  Tc1  4  0.21  0.0  0.41  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Cd Tc Tc B
Tc2CdB crystallizes in the monoclinic Cm space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 1-coordinate geometry to four equivalent Cd(1) and four equivalent B(1) atoms. There are a spread of Tc(1)-Cd(1) bond distances ranging from 2.62-3.13 Å. There are a spread of Tc(1)-B(1) bond distances ranging from 2.15-2.75 Å. In the second Tc site, Tc(2) is bonded in a 4-coordinate geometry to four equivalent Cd(1) and four equivalent B(1) atoms. There are a spread of Tc(2)-Cd(1) bond distances ranging from 2.62-3.13 Å. There are a spread of Tc(2)-B(1) bond distances ranging from 2.20-2.79 Å. Cd(1) is bonded to four equivalent Tc(1), four equivalent Tc(2), and four equivalent Cd(1) atoms to form a mixture of distorted face and corner-sharing CdCd4Tc8 cuboctahedra. All Cd(1)-Cd(1) bond lengths are 2.81 Å. B(1) is bonded in a 8-coordinate geometry to four equivalent Tc(1) and four equivalent Tc(2) atoms.