data_GeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   6.6
_cell_angle_alpha   105.52
_cell_angle_beta   105.52
_cell_angle_gamma   29.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSe
_chemical_formula_sum   'Ge3 Se3'
_cell_volume   165.49
_cell_formula_units_Z   3
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  0.93  0.0  0.3  1.0
  Ge  Ge1  1  0.65  0.0  0.29  1.0
  Ge  Ge2  1  0.11  0.0  0.87  1.0
  Se  Se3  1  0.72  0.0  0.97  1.0
  Se  Se4  1  0.08  0.0  0.94  1.0
  Se  Se5  1  0.16  0.0  0.6  1.0

data_GeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   6.6
_cell_length_c   7.31
_cell_angle_alpha   105.52
_cell_angle_beta   104.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSe
_chemical_formula_sum   'Ge3 Se3'
_cell_volume   165.49
_cell_formula_units_Z   3
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  0.29  0.65  1.0
  Ge  Ge1  1  0.0  0.3  0.93  1.0
  Ge  Ge2  1  0.0  0.87  0.11  1.0
  Se  Se3  1  0.0  0.6  0.16  1.0
  Se  Se4  1  0.0  0.94  0.08  1.0
  Se  Se5  1  0.0  0.97  0.72  1.0

Ge Ge Ge Se Se Se