data_SF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SF3
_chemical_formula_sum   'S2 F6'
_cell_volume   86.52
_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
  S  S6  1  0.0  0.3  0.76  1.0
  S  S7  1  0.86  0.65  0.29  1.0
  F  F0  1  0.0  0.95  0.29  1.0
  F  F1  1  0.17  0.97  0.29  1.0
  F  F2  1  0.83  0.97  0.29  1.0
  F  F3  1  0.86  1.0  0.76  1.0
  F  F4  1  0.69  0.98  0.76  1.0
  F  F5  1  0.02  0.98  0.76  1.0

data_SF3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.06
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SF3
_chemical_formula_sum   'S2 F6'
_cell_volume   86.52
_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
  S  S0  2  0.26  0.43  0.17  1.0
  F  F1  2  0.26  0.41  0.5  1.0
  F  F2  2  0.26  0.57  0.48  1.0
  F  F3  2  0.26  0.74  0.5  1.0

S S F F F F F F
S S F F F F F F 0 6 - - o 0 5 - - o 1 2 + o o 1 3 + o o 2 4 - o o 2 3 o o o 5 6 o o o 5 7 + o o 
SF3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SF3 clusters. S(1) is bonded in a single-bond geometry to one F(1) atom. The S(1)-F(1) bond length is 1.51 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one S(1), one F(2), and one F(3) atom. The F(1)-F(2) bond length is 0.90 Å. The F(1)-F(3) bond length is 1.00 Å. In the second F site, F(2) is bonded in a distorted single-bond geometry to one F(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one F(1) atom.