data_Tc3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc3Bi
_chemical_formula_sum   'Tc3 Bi1'
_cell_volume   71.14
_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  0.59  0.59  0.45  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.59  0.59  0.59  1.0
  Bi  Bi0  1  0.0  0.0  0.52  1.0

data_Tc3Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc3Bi
_chemical_formula_sum   'Tc6 Bi2'
_cell_volume   142.27
_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  0.09  0.5  0.45  1.0
  Tc  Tc2  2  0.09  0.5  0.59  1.0
  Bi  Bi3  2  0.0  0.0  0.52  1.0

Tc Tc Tc Bi
Tc3Bi crystallizes in the monoclinic Cm space group. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted single-bond geometry to one Tc(2), one Tc(3), and three equivalent Bi(1) atoms. The Tc(1)-Tc(2) bond length is 3.66 Å. The Tc(1)-Tc(3) bond length is 1.03 Å. There is one shorter (1.92 Å) and two longer (2.34 Å) Tc(1)-Bi(1) bond lengths. In the second Tc site, Tc(2) is bonded in a 10-coordinate geometry to one Tc(1), three equivalent Tc(3), four equivalent Tc(2), and two equivalent Bi(1) atoms. There is one shorter (3.40 Å) and two longer (3.66 Å) Tc(2)-Tc(3) bond lengths. All Tc(2)-Tc(2) bond lengths are 3.18 Å. There is one shorter (3.37 Å) and one longer (3.67 Å) Tc(2)-Bi(1) bond length. In the third Tc site, Tc(3) is bonded in a distorted single-bond geometry to one Tc(1), three equivalent Tc(2), and three equivalent Bi(1) atoms. There is one shorter (1.92 Å) and two longer (2.34 Å) Tc(3)-Bi(1) bond lengths. Bi(1) is bonded in a 6-coordinate geometry to two equivalent Tc(2), three equivalent Tc(1), and three equivalent Tc(3) atoms.