data_GeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   13.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSe2
_chemical_formula_sum   'Ge4 Se8'
_cell_volume   340.49
_cell_formula_units_Z   4
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  0.74  0.58  0.46  1.0
  Ge  Ge1  1  0.0  0.16  0.01  1.0
  Ge  Ge2  1  0.0  0.16  0.64  1.0
  Ge  Ge3  1  0.74  0.58  0.09  1.0
  Se  Se4  1  0.0  0.0  0.55  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0
  Se  Se6  1  0.39  0.97  0.83  1.0
  Se  Se7  1  0.35  0.78  0.28  1.0
  Se  Se8  1  0.61  0.97  0.83  1.0
  Se  Se9  1  0.0  0.55  0.83  1.0
  Se  Se10  1  0.74  0.19  0.28  1.0
  Se  Se11  1  0.13  0.78  0.28  1.0

data_GeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   13.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSe2
_chemical_formula_sum   'Ge4 Se8'
_cell_volume   340.49
_cell_formula_units_Z   4
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  0.16  0.01  1.0
  Ge  Ge1  1  0.0  0.16  0.64  1.0
  Ge  Ge2  1  0.74  0.58  0.09  1.0
  Ge  Ge3  1  0.74  0.58  0.46  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0
  Se  Se5  1  0.0  0.0  0.55  1.0
  Se  Se6  1  0.0  0.55  0.83  1.0
  Se  Se7  1  0.13  0.78  0.28  1.0
  Se  Se8  1  0.35  0.78  0.28  1.0
  Se  Se9  1  0.39  0.97  0.83  1.0
  Se  Se10  1  0.61  0.97  0.83  1.0
  Se  Se11  1  0.74  0.19  0.28  1.0

Ge Ge Ge Ge Se Se Se Se Se Se Se Se