data_Ge3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   140.54
_cell_angle_beta   140.54
_cell_angle_gamma   57.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Te
_chemical_formula_sum   'Ge3 Te1'
_cell_volume   91.31
_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
  Ge  Ge0  1  0.06  0.0  0.68  1.0
  Ge  Ge1  1  0.0  0.06  0.68  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.37  1.0

data_Ge3Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   118.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge3Te
_chemical_formula_sum   'Ge6 Te2'
_cell_volume   182.62
_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
  Ge  Ge0  4  0.03  0.03  0.38  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.0  0.0  0.63  1.0

Ge Ge Ge Te
Ge Ge Ge Te 0 1 o o o 0 2 o o + 0 3 o o o 1 2 o o + 1 3 o o o 2 3 o o o 