data_CdTc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2Sb
_chemical_formula_sum   'Cd1 Tc2 Sb1'
_cell_volume   71.34
_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  Cd0  1  0.29  0.29  0.29  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.94  0.94  0.94  1.0
  Sb  Sb1  1  0.65  0.65  0.65  1.0

data_CdTc2Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   11.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdTc2Sb
_chemical_formula_sum   'Cd3 Tc6 Sb3'
_cell_volume   214.03
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.71  1.0
  Tc  Tc1  3  0.0  0.0  0.0  1.0
  Tc  Tc2  3  0.0  0.0  0.06  1.0
  Sb  Sb3  3  0.0  0.0  0.35  1.0

Cd Tc Tc Sb
Tc2CdSb crystallizes in the trigonal R3m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Tc(2), four equivalent Cd(1), and three equivalent Sb(1) atoms. The Tc(1)-Tc(2) bond length is 0.71 Å. There are three shorter (2.73 Å) and one longer (3.33 Å) Tc(1)-Cd(1) bond length. All Tc(1)-Sb(1) bond lengths are 2.70 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Tc(1), three equivalent Cd(1), and four equivalent Sb(1) atoms. All Tc(2)-Cd(1) bond lengths are 2.70 Å. There are three shorter (2.73 Å) and one longer (3.33 Å) Tc(2)-Sb(1) bond length. Cd(1) is bonded in a 10-coordinate geometry to three equivalent Tc(2), four equivalent Tc(1), and three equivalent Sb(1) atoms. All Cd(1)-Sb(1) bond lengths are 2.70 Å. Sb(1) is bonded in a 10-coordinate geometry to three equivalent Tc(1), four equivalent Tc(2), and three equivalent Cd(1) atoms.