data_Tc5C7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   103.18
_cell_angle_beta   103.18
_cell_angle_gamma   122.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc5C7
_chemical_formula_sum   'Tc5 C7'
_cell_volume   121.86
_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  Tc7  1  0.0  0.0  0.88  1.0
  Tc  Tc8  1  0.07  0.07  0.4  1.0
  Tc  Tc9  1  0.34  0.34  0.02  1.0
  Tc  Tc10  1  0.34  0.66  0.02  1.0
  Tc  Tc11  1  0.66  0.34  0.02  1.0
  C  C0  1  0.0  0.0  0.02  1.0
  C  C1  1  0.41  0.0  0.17  1.0
  C  C2  1  0.0  0.41  0.17  1.0
  C  C3  1  0.09  0.0  0.46  1.0
  C  C4  1  0.73  0.0  0.46  1.0
  C  C5  1  0.0  0.09  0.46  1.0
  C  C6  1  0.0  0.73  0.46  1.0

data_Tc5C7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   9.64
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   118.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc5C7
_chemical_formula_sum   'Tc10 C14'
_cell_volume   243.72
_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  4  0.02  0.34  0.02  1.0
  Tc  Tc1  2  0.18  0.5  0.02  1.0
  Tc  Tc2  2  0.34  0.0  0.4  1.0
  Tc  Tc3  2  0.38  0.5  0.88  1.0
  C  C4  4  0.09  0.37  0.46  1.0
  C  C5  4  0.41  0.04  0.46  1.0
  C  C6  4  0.46  0.3  0.17  1.0
  C  C7  2  0.02  0.0  0.02  1.0

Tc Tc Tc Tc Tc C C C C C C C
Tc5C7 crystallizes in the monoclinic Cm space group. There are four inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Tc(3), one C(1), and two equivalent C(4) atoms. The Tc(1)-Tc(3) bond length is 1.59 Å. The Tc(1)-C(1) bond length is 0.77 Å. Both Tc(1)-C(4) bond lengths are 2.47 Å. In the second Tc site, Tc(2) is bonded in a distorted water-like geometry to two equivalent C(3) atoms. Both Tc(2)-C(3) bond lengths are 0.55 Å. In the third Tc site, Tc(3) is bonded in a 6-coordinate geometry to one Tc(1), two equivalent Tc(4), one C(1), and two equivalent C(2) atoms. Both Tc(3)-Tc(4) bond lengths are 1.71 Å. The Tc(3)-C(1) bond length is 1.80 Å. Both Tc(3)-C(2) bond lengths are 2.37 Å. In the fourth Tc site, Tc(4) is bonded in a 4-coordinate geometry to one Tc(3), one C(4), and two equivalent C(2) atoms. The Tc(4)-C(4) bond length is 2.24 Å. There is one shorter (1.67 Å) and one longer (2.11 Å) Tc(4)-C(2) bond length. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one Tc(1) and one Tc(3) atom. In the second C site, C(2) is bonded in a 2-coordinate geometry to one Tc(3), two equivalent Tc(4), and one C(4) atom. The C(2)-C(4) bond length is 2.08 Å. In the third C site, C(3) is bonded in a single-bond geometry to one Tc(2) and one C(4) atom. The C(3)-C(4) bond length is 1.28 Å. In the fourth C site, C(4) is bonded in a 4-coordinate geometry to one Tc(1), one Tc(4), one C(2), and one C(3) atom.