data_Ge3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   117.25
_cell_angle_beta   117.25
_cell_angle_gamma   117.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Te
_chemical_formula_sum   'Ge3 Te1'
_cell_volume   87.7
_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  0.47  0.54  0.99  1.0
  Ge  Ge1  1  0.0  0.92  0.99  1.0
  Ge  Ge2  1  0.53  0.54  0.99  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Ge3Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   117.25
_cell_angle_beta   99.65
_cell_angle_gamma   99.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Te
_chemical_formula_sum   'Ge3 Te1'
_cell_volume   87.7
_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  0.99  0.52  0.45  1.0
  Ge  Ge1  1  0.99  0.99  0.07  1.0
  Ge  Ge2  1  0.99  0.47  0.45  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ge Ge Ge Te