data_ZnH6C6SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   14.28
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   111.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH6C6SO6
_chemical_formula_sum   'Zn2 H12 C12 S2 O12'
_cell_volume   424.17
_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
  Zn  Zn0  1  0.4  0.02  0.03  1.0
  Zn  Zn1  1  0.08  0.16  0.01  1.0
  H  H2  1  0.32  0.85  0.83  1.0
  H  H3  1  0.15  0.99  0.21  1.0
  H  H4  1  0.58  0.31  0.8  1.0
  H  H5  1  0.89  0.45  0.25  1.0
  H  H6  1  0.25  0.12  0.23  1.0
  H  H7  1  0.22  0.26  0.82  1.0
  H  H8  1  0.77  0.06  0.21  1.0
  H  H9  1  0.7  0.2  0.84  1.0
  H  H10  1  0.81  0.57  0.02  1.0
  H  H11  1  0.67  0.71  0.03  1.0
  H  H12  1  0.98  0.46  0.0  1.0
  H  H13  1  0.49  0.6  0.04  1.0
  C  C14  1  0.83  0.69  0.43  1.0
  C  C15  1  0.64  0.83  0.61  1.0
  C  C16  1  0.04  0.47  0.41  1.0
  C  C17  1  0.43  0.61  0.64  1.0
  C  C18  1  0.83  0.69  0.84  1.0
  C  C19  1  0.64  0.83  0.21  1.0
  C  C20  1  0.01  0.45  0.82  1.0
  C  C21  1  0.46  0.59  0.23  1.0
  C  C22  1  0.41  0.03  0.12  1.0
  C  C23  1  0.06  0.18  0.93  1.0
  C  C24  1  0.43  0.04  0.11  1.0
  C  C25  1  0.04  0.18  0.94  1.0
  S  S26  1  1.0  0.59  0.63  1.0
  S  S27  1  0.48  0.73  0.41  1.0
  O  O28  1  0.32  0.76  0.84  1.0
  O  O29  1  0.15  0.9  0.21  1.0
  O  O30  1  0.61  0.41  0.8  1.0
  O  O31  1  0.87  0.55  0.24  1.0
  O  O32  1  0.04  0.54  0.16  1.0
  O  O33  1  0.43  0.68  0.89  1.0
  O  O34  1  0.86  0.64  0.13  1.0
  O  O35  1  0.61  0.78  0.92  1.0
  O  O36  1  0.47  0.99  0.27  1.0
  O  O37  1  0.01  0.13  0.78  1.0
  O  O38  1  0.4  0.16  0.24  1.0
  O  O39  1  0.07  0.3  0.8  1.0

data_ZnH6C6SO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.91
_cell_length_b   6.52
_cell_length_c   14.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH6C6SO6
_chemical_formula_sum   'Zn2 H12 C12 S2 O12'
_cell_volume   424.17
_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
  Zn  Zn0  1  0.6  0.97  0.98  1.0
  Zn  Zn1  1  0.92  0.99  0.84  1.0
  H  H2  1  0.02  1.0  0.54  1.0
  H  H3  1  0.11  0.75  0.55  1.0
  H  H4  1  0.19  0.98  0.43  1.0
  H  H5  1  0.23  0.79  0.94  1.0
  H  H6  1  0.3  0.16  0.8  1.0
  H  H7  1  0.33  0.97  0.29  1.0
  H  H8  1  0.42  0.2  0.69  1.0
  H  H9  1  0.51  0.96  0.4  1.0
  H  H10  1  0.68  0.17  0.15  1.0
  H  H11  1  0.75  0.77  0.88  1.0
  H  H12  1  0.78  0.18  0.74  1.0
  H  H13  1  0.85  0.79  0.01  1.0
  C  C14  1  0.17  0.57  0.31  1.0
  C  C15  1  0.17  0.16  0.31  1.0
  C  C16  1  0.36  0.79  0.17  1.0
  C  C17  1  0.36  0.39  0.17  1.0
  C  C18  1  0.54  0.77  0.41  1.0
  C  C19  1  0.57  0.89  0.96  1.0
  C  C20  1  0.57  0.36  0.39  1.0
  C  C21  1  0.59  0.88  0.97  1.0
  C  C22  1  0.94  0.07  0.82  1.0
  C  C23  1  0.96  0.59  0.53  1.0
  C  C24  1  0.96  0.06  0.82  1.0
  C  C25  1  0.99  0.18  0.55  1.0
  S  S26  1  0.0  0.37  0.41  1.0
  S  S27  1  0.52  0.59  0.27  1.0
  O  O28  1  0.13  0.76  0.45  1.0
  O  O29  1  0.14  0.87  0.36  1.0
  O  O30  1  0.39  0.08  0.22  1.0
  O  O31  1  0.39  0.2  0.59  1.0
  O  O32  1  0.53  0.73  0.01  1.0
  O  O33  1  0.57  0.11  0.32  1.0
  O  O34  1  0.6  0.76  0.84  1.0
  O  O35  1  0.68  0.16  0.24  1.0
  O  O36  1  0.85  0.79  0.1  1.0
  O  O37  1  0.93  0.2  0.7  1.0
  O  O38  1  0.96  0.84  0.46  1.0
  O  O39  1  0.99  0.22  0.87  1.0

Zn Zn H H H H H H H H H H H H C C C C C C C C C C C C S S O O O O O O O O O O O O