data_GeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   50.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSe2
_chemical_formula_sum   'Ge2 Se4'
_cell_volume   124.26
_cell_formula_units_Z   2
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  0.2  0.26  0.22  1.0
  Ge  Ge1  1  0.2  0.74  0.66  1.0
  Se  Se2  1  0.77  0.81  0.22  1.0
  Se  Se3  1  0.64  0.19  0.66  1.0
  Se  Se4  1  0.64  0.81  0.22  1.0
  Se  Se5  1  0.77  0.19  0.66  1.0

data_GeSe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.88
_cell_length_b   4.89
_cell_length_c   5.75
_cell_angle_alpha   115.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GeSe2
_chemical_formula_sum   'Ge2 Se4'
_cell_volume   124.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.28  0.26  0.76  1.0
  Se  Se1  2  0.28  0.81  0.75  1.0
  Se  Se2  2  0.28  0.81  0.88  1.0

Ge Ge Se Se Se Se