data_Sn2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.04
_cell_angle_alpha   96.81
_cell_angle_beta   96.81
_cell_angle_gamma   80.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2OF2
_chemical_formula_sum   'Sn4 O2 F4'
_cell_volume   171.03
_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
  Sn  Sn6  1  0.81  0.0  0.45  1.0
  Sn  Sn7  1  0.5  0.66  0.0  1.0
  Sn  Sn8  1  0.5  0.34  0.0  1.0
  Sn  Sn9  1  0.41  0.0  0.53  1.0
  O  O4  1  0.37  0.0  0.98  1.0
  O  O5  1  0.85  0.0  0.99  1.0
  F  F0  1  0.54  0.47  0.5  1.0
  F  F1  1  0.68  0.47  0.47  1.0
  F  F2  1  0.54  0.53  0.5  1.0
  F  F3  1  0.68  0.53  0.47  1.0

data_Sn2OF2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   80.61
_cell_angle_beta   83.19
_cell_angle_gamma   83.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2OF2
_chemical_formula_sum   'Sn4 O2 F4'
_cell_volume   171.03
_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
  Sn  Sn0  1  -0.0  0.5  0.34  1.0
  Sn  Sn1  1  -0.0  0.5  0.66  1.0
  Sn  Sn2  1  0.45  0.19  0.0  1.0
  Sn  Sn3  1  0.53  0.59  0.0  1.0
  O  O4  1  0.98  0.63  0.0  1.0
  O  O5  1  0.99  0.15  0.0  1.0
  F  F6  1  0.47  0.32  0.47  1.0
  F  F7  1  0.47  0.32  0.53  1.0
  F  F8  1  0.5  0.46  0.47  1.0
  F  F9  1  0.5  0.46  0.53  1.0

Sn Sn Sn Sn O O F F F F