data_CdSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   8.56
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   95.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSO3
_chemical_formula_sum   'Cd4 S4 O12'
_cell_volume   271.66
_cell_formula_units_Z   4
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
  Cd  Cd0  1  0.35  0.76  0.06  1.0
  Cd  Cd1  1  0.76  0.05  0.52  1.0
  Cd  Cd2  1  0.03  0.52  0.65  1.0
  Cd  Cd3  1  0.44  0.8  0.11  1.0
  S  S16  1  0.11  0.96  0.51  1.0
  S  S17  1  0.99  0.68  0.08  1.0
  S  S18  1  0.79  0.88  0.09  1.0
  S  S19  1  0.68  0.6  0.66  1.0
  O  O4  1  0.19  0.11  0.59  1.0
  O  O5  1  0.2  0.16  0.33  1.0
  O  O6  1  0.89  0.44  0.58  1.0
  O  O7  1  0.22  0.72  0.01  1.0
  O  O8  1  0.9  0.88  0.25  1.0
  O  O9  1  0.92  0.39  1.0  1.0
  O  O10  1  0.87  0.18  0.17  1.0
  O  O11  1  0.89  0.68  0.92  1.0
  O  O12  1  0.57  0.84  0.16  1.0
  O  O13  1  0.9  0.12  0.59  1.0
  O  O14  1  0.59  0.4  0.84  1.0
  O  O15  1  0.6  0.46  0.58  1.0

data_CdSO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.42
_cell_length_b   7.2
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.05
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdSO3
_chemical_formula_sum   'Cd4 S4 O12'
_cell_volume   271.66
_cell_formula_units_Z   4
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
  Cd  Cd0  2  0.14  0.06  0.74  1.0
  Cd  Cd1  2  0.45  0.48  0.98  1.0
  S  S2  2  0.1  0.49  0.9  1.0
  S  S3  2  0.22  0.92  0.18  1.0
  O  O4  2  0.01  0.01  0.34  1.0
  O  O5  2  0.01  0.67  0.1  1.0
  O  O6  2  0.02  0.41  0.61  1.0
  O  O7  2  0.29  0.0  0.32  1.0
  O  O8  2  0.31  0.75  0.38  1.0
  O  O9  2  0.32  0.42  0.94  1.0

Cd Cd Cd Cd S S S S O O O O O O O O O O O O