data_GeSb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   4.45
_cell_angle_alpha   101.34
_cell_angle_beta   101.34
_cell_angle_gamma   33.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSb2Te
_chemical_formula_sum   'Ge1 Sb2 Te1'
_cell_volume   114.17
_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  0.19  0.0  0.21  1.0
  Sb  Sb2  1  0.02  0.0  0.14  1.0
  Te  Te3  1  0.11  0.0  0.18  1.0

data_GeSb2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.45
_cell_length_c   6.86
_cell_angle_alpha   101.34
_cell_angle_beta   106.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSb2Te
_chemical_formula_sum   'Ge1 Sb2 Te1'
_cell_volume   114.17
_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  0.0  0.14  0.02  1.0
  Sb  Sb2  1  0.0  0.21  0.19  1.0
  Te  Te3  1  0.0  0.18  0.11  1.0

Ge Sb Sb Te