data_Ta2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86
_cell_length_b   8.86
_cell_length_c   8.86
_cell_angle_alpha   21.72
_cell_angle_beta   21.72
_cell_angle_gamma   21.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GeTe
_chemical_formula_sum   'Ta2 Ge1 Te1'
_cell_volume   83.56
_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
  Ta  Ta1  1  0.0  0.0  0.93  1.0
  Ta  Ta2  1  0.0  0.0  0.58  1.0
  Ge  Ge0  1  0.0  0.0  0.2  1.0
  Te  Te3  1  0.0  0.0  0.17  1.0

data_Ta2GeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   3.34
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   102.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2GeTe
_chemical_formula_sum   'Ta4 Ge2 Te2'
_cell_volume   167.12
_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
  Ta  Ta0  2  -0.0  0.0  0.42  1.0
  Ta  Ta1  2  0.0  0.0  0.07  1.0
  Ge  Ge2  2  -0.0  0.0  0.8  1.0
  Te  Te3  2  -0.0  0.0  0.83  1.0

Ta Ta Ge Te
Ta2GeTe crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Ta(2) and one Te(1) atom. The Ta(1)-Ta(2) bond length is 3.16 Å. The Ta(1)-Te(1) bond length is 2.13 Å. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to one Ta(1), six equivalent Ta(2), and one Ge(1) atom. All Ta(2)-Ta(2) bond lengths are 3.34 Å. The Ta(2)-Ge(1) bond length is 3.35 Å. Ge(1) is bonded in a single-bond geometry to one Ta(2) and one Te(1) atom. The Ge(1)-Te(1) bond length is 0.22 Å. Te(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Ge(1) atom.