data_Tc2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GeTe
_chemical_formula_sum   'Tc2 Ge1 Te1'
_cell_volume   75.82
_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  0.53  0.53  0.11  1.0
  Tc  Tc2  1  0.0  0.0  0.81  1.0
  Ge  Ge0  1  0.0  0.0  0.64  1.0
  Te  Te3  1  0.53  0.53  0.51  1.0

data_Tc2GeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2GeTe
_chemical_formula_sum   'Tc4 Ge2 Te2'
_cell_volume   151.63
_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  0.81  1.0
  Tc  Tc1  2  0.03  0.5  0.11  1.0
  Ge  Ge2  2  0.0  0.0  0.64  1.0
  Te  Te3  2  0.03  0.5  0.51  1.0

Tc Tc Ge Te
Tc Tc Ge Te 0 1 o o - 0 1 o + - 0 1 + o - 0 1 + + - 0 0 + o o 0 0 o + o 0 3 o o o 1 2 o o o 2 3 o o o 2 3 o - o 2 3 - o o 2 3 - - o 
Tc2GeTe crystallizes in the monoclinic Cm space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 9-coordinate geometry to four equivalent Tc(1), four equivalent Tc(2), and one Te(1) atom. All Tc(1)-Tc(1) bond lengths are 3.07 Å. There are a spread of Tc(1)-Tc(2) bond distances ranging from 3.17-3.37 Å. The Tc(1)-Te(1) bond length is 3.25 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to four equivalent Tc(1) and one Ge(1) atom. The Tc(2)-Ge(1) bond length is 1.34 Å. Ge(1) is bonded in a distorted single-bond geometry to one Tc(2) and four equivalent Te(1) atoms. There are a spread of Ge(1)-Te(1) bond distances ranging from 2.26-2.53 Å. Te(1) is bonded in a 5-coordinate geometry to one Tc(1) and four equivalent Ge(1) atoms.