data_Se3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   4.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Se3F
_chemical_formula_sum   'Se6 F2'
_cell_volume   134.75
_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  0.91  0.1  1.0
  Se  Se3  1  0.42  0.36  0.1  1.0
  Se  Se4  1  0.58  0.36  0.1  1.0
  Se  Se5  1  0.07  0.41  0.03  1.0
  Se  Se6  1  0.65  0.95  0.03  1.0
  Se  Se7  1  0.49  0.95  0.03  1.0
  F  F0  1  0.0  0.54  0.03  1.0
  F  F1  1  0.07  0.77  0.1  1.0

data_Se3F
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.13
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Se3F
_chemical_formula_sum   'Se6 F2'
_cell_volume   134.75
_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  0.03  0.38  0.2  1.0
  Se  Se1  2  0.03  0.55  0.2  1.0
  Se  Se2  2  0.03  0.97  0.75  1.0
  F  F3  2  0.03  0.03  0.61  1.0

Se Se Se Se Se Se F F