data_Tc3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc3Sb
_chemical_formula_sum   'Tc3 Sb1'
_cell_volume   63.47
_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
  Tc  Tc1  1  0.54  0.54  0.64  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.54  0.54  0.08  1.0
  Sb  Sb0  1  0.0  0.0  0.36  1.0

data_Tc3Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc3Sb
_chemical_formula_sum   'Tc6 Sb2'
_cell_volume   126.94
_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
  Tc  Tc0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.04  0.5  0.08  1.0
  Tc  Tc2  2  0.04  0.5  0.64  1.0
  Sb  Sb3  2  0.0  0.0  0.36  1.0

Tc Tc Tc Sb
Tc3Sb crystallizes in the monoclinic Cm space group. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 4-coordinate geometry to one Tc(3) and four equivalent Sb(1) atoms. The Tc(1)-Tc(3) bond length is 2.96 Å. There are a spread of Tc(1)-Sb(1) bond distances ranging from 2.75-3.00 Å. In the second Tc site, Tc(2) is bonded in a 5-coordinate geometry to four equivalent Tc(3) and one Sb(1) atom. There are a spread of Tc(2)-Tc(3) bond distances ranging from 2.08-2.39 Å. The Tc(2)-Sb(1) bond length is 2.40 Å. In the third Tc site, Tc(3) is bonded in a 9-coordinate geometry to one Tc(1), four equivalent Tc(2), and four equivalent Sb(1) atoms. There are a spread of Tc(3)-Sb(1) bond distances ranging from 2.75-3.00 Å. Sb(1) is bonded in a 13-coordinate geometry to one Tc(2), four equivalent Tc(1), four equivalent Tc(3), and four equivalent Sb(1) atoms. All Sb(1)-Sb(1) bond lengths are 3.07 Å.