data_Ge3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Te
_chemical_formula_sum   'Ge6 Te2'
_cell_volume   180.83
_cell_formula_units_Z   2
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
  Ge  Ge0  1  0.41  0.0  0.83  1.0
  Ge  Ge1  1  0.24  0.0  0.83  1.0
  Ge  Ge2  1  0.83  0.41  0.0  1.0
  Ge  Ge3  1  0.83  0.24  0.0  1.0
  Ge  Ge4  1  0.0  0.83  0.24  1.0
  Ge  Ge5  1  0.0  0.83  0.41  1.0
  Te  Te6  1  0.83  0.83  0.83  1.0
  Te  Te7  1  0.0  0.0  0.0  1.0

data_Ge3Te
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.0
_cell_length_b   8.0
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ge3Te
_chemical_formula_sum   'Ge18 Te6'
_cell_volume   542.48
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Ge  Ge0  9  -0.0  0.59  0.41  1.0
  Ge  Ge1  9  0.14  0.69  0.69  1.0
  Te  Te2  3  0.0  0.0  0.0  1.0
  Te  Te3  3  0.0  0.0  0.83  1.0

Ge Ge Ge Ge Ge Ge Te Te
Ge Ge Ge Ge Ge Ge Te Te 0 1 o o o 1 7 o o + 2 3 o o o 3 7 + o o 4 5 o o o 4 7 o + o 6 7 + + + 
(GeGeGe)Te crystallizes in the trigonal R3 space group. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one Ge(2) and one Te(1) atom. The Ge(1)-Ge(2) bond length is 0.98 Å. The Ge(1)-Te(1) bond length is 2.53 Å. In the second Ge site, Ge(2) is bonded in a distorted bent 150 degrees geometry to one Ge(1) and one Te(2) atom. The Ge(2)-Te(2) bond length is 1.68 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted tetrahedral geometry to three equivalent Ge(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 1.69 Å. In the second Te site, Te(2) is bonded in a trigonal pyramidal geometry to three equivalent Ge(2) and one Te(1) atom.