data_Tc2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.19
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   91.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GeTe
_chemical_formula_sum   'Tc2 Ge1 Te1'
_cell_volume   64.11
_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  0.59  0.5  1.0
  Tc  Tc2  1  0.52  0.59  0.84  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.94  0.0  0.17  1.0

data_Tc2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.19
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   91.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GeTe
_chemical_formula_sum   'Tc2 Ge1 Te1'
_cell_volume   64.11
_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  Tc0  1  0.52  0.59  0.84  1.0
  Tc  Tc1  1  0.53  0.59  0.5  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.94  0.0  0.17  1.0

Tc Tc Ge Te
Tc Tc Ge Te 0 1 o o o 1 2 o + + 1 2 + o + 1 2 + + + 2 3 - o o 
Tc2GeTe crystallizes in the triclinic P1 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 9-coordinate geometry to one Tc(2), four equivalent Tc(1), and four equivalent Te(1) atoms. The Tc(1)-Tc(2) bond length is 2.15 Å. There are two shorter (3.17 Å) and two longer (3.19 Å) Tc(1)-Tc(1) bond lengths. There are a spread of Tc(1)-Te(1) bond distances ranging from 2.81-3.37 Å. In the second Tc site, Tc(2) is bonded in a 5-coordinate geometry to one Tc(1) and four equivalent Ge(1) atoms. There are a spread of Tc(2)-Ge(1) bond distances ranging from 2.23-2.73 Å. Ge(1) is bonded in a distorted single-bond geometry to four equivalent Tc(2) and one Te(1) atom. The Ge(1)-Te(1) bond length is 1.09 Å. Te(1) is bonded in a single-bond geometry to four equivalent Tc(1) and one Ge(1) atom.