data_RbSO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   6.03
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbSO2F
_chemical_formula_sum   'Rb2 S2 O4 F2'
_cell_volume   207.59
_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
  Rb  Rb0  1  0.12  0.52  0.01  1.0
  Rb  Rb1  1  0.5  0.51  0.04  1.0
  S  S2  1  0.1  0.52  0.75  1.0
  S  S3  1  0.52  0.51  0.3  1.0
  O  O4  1  0.06  0.3  0.92  1.0
  O  O5  1  0.57  0.28  0.13  1.0
  O  O6  1  0.57  0.73  0.13  1.0
  O  O7  1  0.06  0.75  0.92  1.0
  F  F8  1  0.74  0.51  0.87  1.0
  F  F9  1  0.89  0.52  0.18  1.0

data_RbSO2F
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.89
_cell_length_b   6.03
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RbSO2F
_chemical_formula_sum   'Rb2 S2 O4 F2'
_cell_volume   207.59
_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
  Rb  Rb0  2  0.19  0.49  0.02  1.0
  S  S1  2  0.21  0.49  0.27  1.0
  O  O2  2  0.26  0.72  0.1  1.0
  O  O3  2  0.26  0.27  0.1  1.0
  F  F4  2  0.43  0.49  0.85  1.0

Rb Rb S S O O O O F F