data_Se3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Se3Cl
_chemical_formula_sum   'Se6 Cl2'
_cell_volume   191.31
_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
  Se  Se2  1  0.0  0.04  0.66  1.0
  Se  Se3  1  0.17  0.81  0.66  1.0
  Se  Se4  1  0.83  0.81  0.66  1.0
  Se  Se5  1  0.95  0.79  0.89  1.0
  Se  Se6  1  0.77  0.02  0.89  1.0
  Se  Se7  1  0.12  0.02  0.89  1.0
  Cl  Cl0  1  0.0  0.56  0.89  1.0
  Cl  Cl1  1  0.95  0.28  0.66  1.0

data_Se3Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.55
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Se3Cl
_chemical_formula_sum   'Se6 Cl2'
_cell_volume   191.31
_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
  Se  Se0  2  0.39  0.35  0.39  1.0
  Se  Se1  2  0.39  0.53  0.63  1.0
  Se  Se2  2  0.39  0.7  0.39  1.0
  Cl  Cl3  2  0.39  0.47  0.86  1.0

Se Se Se Se Se Se Cl Cl