data_GeSb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   3.23
_cell_angle_alpha   99.94
_cell_angle_beta   99.94
_cell_angle_gamma   117.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSb2Te
_chemical_formula_sum   'Ge1 Sb2 Te1'
_cell_volume   103.52
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.08  0.63  0.53  1.0
  Sb  Sb2  1  0.08  0.37  0.53  1.0
  Te  Te3  1  0.22  0.0  0.0  1.0

data_GeSb2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   117.03
_cell_angle_beta   99.94
_cell_angle_gamma   99.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSb2Te
_chemical_formula_sum   'Ge1 Sb2 Te1'
_cell_volume   103.52
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.53  0.08  0.37  1.0
  Sb  Sb2  1  0.53  0.08  0.63  1.0
  Te  Te3  1  -0.0  0.22  0.0  1.0

Ge Sb Sb Te
Ge Sb Sb Te 0 3 o o o 1 2 o o o 