data_GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   5.22
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSe3
_chemical_formula_sum   'Ge1 Se3'
_cell_volume   101.72
_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  0.0  1.0
  Se  Se1  1  0.34  0.26  0.63  1.0
  Se  Se2  1  0.0  0.61  0.0  1.0
  Se  Se3  1  0.34  0.96  0.63  1.0

data_GeSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.22
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSe3
_chemical_formula_sum   'Ge1 Se3'
_cell_volume   101.72
_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  0.0  1.0
  Se  Se1  1  0.0  0.61  -0.0  1.0
  Se  Se2  1  0.34  0.26  0.63  1.0
  Se  Se3  1  0.34  0.96  0.63  1.0

Ge Se Se Se
Ge Se Se Se 0 2 o - o 1 3 o - o 