data_Ge3Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63
_cell_length_b   9.63
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Se5
_chemical_formula_sum   'Ge6 Se10'
_cell_volume   459.16
_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  0.5  0.07  0.43  1.0
  Ge  Ge1  1  0.32  0.27  0.28  1.0
  Ge  Ge2  1  0.31  0.27  0.43  1.0
  Ge  Ge3  1  0.19  0.34  0.43  1.0
  Ge  Ge4  1  0.63  0.0  0.28  1.0
  Ge  Ge5  1  0.51  0.07  0.28  1.0
  Se  Se6  1  0.0  0.56  0.4  1.0
  Se  Se7  1  0.82  0.78  0.54  1.0
  Se  Se8  1  0.82  0.78  0.31  1.0
  Se  Se9  1  0.0  0.56  0.17  1.0
  Se  Se10  1  0.79  0.14  0.43  1.0
  Se  Se11  1  0.02  0.21  0.28  1.0
  Se  Se12  1  0.57  0.23  0.43  1.0
  Se  Se13  1  0.64  0.32  0.43  1.0
  Se  Se14  1  0.18  0.02  0.28  1.0
  Se  Se15  1  0.25  0.11  0.28  1.0

data_Ge3Se5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.71
_cell_length_b   9.63
_cell_length_c   9.63
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ge3Se5
_chemical_formula_sum   'Ge6 Se10'
_cell_volume   459.16
_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  0.07  0.09  0.9  1.0
  Ge  Ge1  2  0.07  0.78  0.17  1.0
  Ge  Ge2  2  0.07  0.9  0.1  1.0
  Se  Se3  2  0.04  0.59  0.39  1.0
  Se  Se4  2  0.07  0.16  0.06  1.0
  Se  Se5  2  0.07  0.23  0.15  1.0
  Se  Se6  2  0.07  0.39  0.97  1.0
  Se  Se7  2  0.19  0.41  0.61  1.0

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