data_GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   21.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTe
_chemical_formula_sum   'Ge1 Te1'
_cell_volume   286.61
_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  0.46  1.0
  Te  Te1  1  0.33  0.67  0.54  1.0

Ge Te 0 1 - - o 0 1 o o o 0 1 o - o 
data_GeTe
_symmetry_space_group_name_H-M   P3m1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   21.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   156
_chemical_formula_structural   GeTe
_chemical_formula_sum   'Ge1 Te1'
_cell_volume   286.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, 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  0.46  1.0
  Te  Te1  1  0.33  0.67  0.54  1.0
