data_ZnC2S2(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91
_cell_length_b   10.91
_cell_length_c   10.91
_cell_angle_alpha   26.92
_cell_angle_beta   26.92
_cell_angle_gamma   26.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnC2S2(OF)6
_chemical_formula_sum   'Zn1 C2 S2 O6 F6'
_cell_volume   234.63
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.0  0.03  1.0
  C  C2  1  0.0  0.0  0.49  1.0
  S  S3  1  0.0  0.0  0.91  1.0
  S  S4  1  0.0  0.0  0.61  1.0
  O  O5  1  0.13  0.88  0.26  1.0
  O  O6  1  0.41  0.81  0.26  1.0
  O  O7  1  0.46  0.32  0.26  1.0
  O  O8  1  0.54  0.68  0.26  1.0
  O  O9  1  0.59  0.19  0.26  1.0
  O  O10  1  0.87  0.12  0.26  1.0
  F  F11  1  0.45  0.21  0.09  1.0
  F  F12  1  0.83  0.41  0.09  1.0
  F  F13  1  0.73  0.37  0.09  1.0
  F  F14  1  0.27  0.63  0.43  1.0
  F  F15  1  0.17  0.59  0.43  1.0
  F  F16  1  0.55  0.79  0.43  1.0

data_ZnC2S2(OF)6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   10.91
_cell_angle_alpha   76.54
_cell_angle_beta   76.54
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnC2S2(OF)6
_chemical_formula_sum   'Zn1 C2 S2 O6 F6'
_cell_volume   234.63
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.51  0.49  1.0
  C  C2  1  0.0  0.97  0.03  1.0
  S  S3  1  0.0  0.09  0.91  1.0
  S  S4  1  0.0  0.39  0.61  1.0
  O  O5  1  0.12  0.74  0.27  1.0
  O  O6  1  0.19  0.74  0.48  1.0
  O  O7  1  0.32  0.74  0.48  1.0
  O  O8  1  0.68  0.74  0.04  1.0
  O  O9  1  0.81  0.74  0.04  1.0
  O  O10  1  0.88  0.74  0.25  1.0
  F  F11  1  0.21  0.57  0.78  1.0
  F  F12  1  0.37  0.57  0.33  1.0
  F  F13  1  0.41  0.57  0.19  1.0
  F  F14  1  0.59  0.91  0.33  1.0
  F  F15  1  0.63  0.91  0.19  1.0
  F  F16  1  0.79  0.91  0.74  1.0

Zn C C S S O O O O O O F F F F F F