data_Ge2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   8.03
_cell_angle_alpha   126.15
_cell_angle_beta   126.15
_cell_angle_gamma   37.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Te
_chemical_formula_sum   'Ge4 Te2'
_cell_volume   154.48
_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  0.94  0.0  0.08  1.0
  Ge  Ge1  1  0.71  0.0  0.44  1.0
  Ge  Ge2  1  0.38  0.0  0.85  1.0
  Ge  Ge3  1  0.15  0.0  0.21  1.0
  Te  Te4  1  0.92  0.0  0.84  1.0
  Te  Te5  1  0.17  0.0  0.44  1.0

data_Ge2Te
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.07
_cell_length_b   6.38
_cell_length_c   6.69
_cell_angle_alpha   75.78
_cell_angle_beta   72.28
_cell_angle_gamma   71.39
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ge2Te
_chemical_formula_sum   'Ge4 Te2'
_cell_volume   154.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.13  0.71  1.0
  Ge  Ge1  2  0.0  0.46  0.94  1.0
  Te  Te2  2  0.0  0.32  0.3  1.0

Ge Ge Ge Ge Te Te
Ge Ge Ge Ge Te Te 0 3 + o o 0 2 o o - 0 4 o o - 1 3 o o o 1 5 + o o 1 4 o o o 2 5 o o o 2 4 - o o 3 5 o o o 