data_AgH10C9SN2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.88
_cell_length_c   9.85
_cell_angle_alpha   110.39
_cell_angle_beta   93.12
_cell_angle_gamma   93.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgH10C9SN2O3
_chemical_formula_sum   'Ag2 H20 C18 S2 N4 O6'
_cell_volume   533.36
_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
  Ag  Ag0  1  0.02  0.8  0.64  1.0
  Ag  Ag1  1  0.37  0.6  0.56  1.0
  H  H2  1  0.6  0.81  0.37  1.0
  H  H3  1  0.78  0.6  0.83  1.0
  H  H4  1  0.42  0.44  0.03  1.0
  H  H5  1  0.96  0.96  0.17  1.0
  H  H6  1  0.56  0.23  0.42  1.0
  H  H7  1  0.83  0.17  0.78  1.0
  H  H8  1  0.43  0.3  0.17  1.0
  H  H9  1  0.95  0.11  0.03  1.0
  H  H10  1  0.03  0.24  0.35  1.0
  H  H11  1  0.36  0.17  0.85  1.0
  H  H12  1  0.56  0.37  0.82  1.0
  H  H13  1  0.82  0.04  0.38  1.0
  H  H14  1  0.48  0.24  0.51  1.0
  H  H15  1  0.9  0.17  0.69  1.0
  H  H16  1  0.91  0.35  0.26  1.0
  H  H17  1  0.47  0.05  0.94  1.0
  H  H18  1  0.91  0.71  0.17  1.0
  H  H19  1  0.47  0.7  0.03  1.0
  H  H20  1  0.68  0.98  0.22  1.0
  H  H21  1  0.7  0.42  0.98  1.0
  C  C22  1  0.12  0.81  0.88  1.0
  C  C23  1  0.27  0.6  0.32  1.0
  C  C24  1  0.91  0.21  0.42  1.0
  C  C25  1  0.47  0.19  0.78  1.0
  C  C26  1  0.93  0.01  0.36  1.0
  C  C27  1  0.46  0.39  0.84  1.0
  C  C28  1  0.75  0.38  0.7  1.0
  C  C29  1  0.63  0.02  0.5  1.0
  C  C30  1  0.56  0.98  0.14  1.0
  C  C31  1  0.82  0.42  0.06  1.0
  C  C32  1  0.93  0.2  0.2  1.0
  C  C33  1  0.46  0.2  1.0  1.0
  C  C34  1  0.61  0.88  0.4  1.0
  C  C35  1  0.78  0.52  0.8  1.0
  C  C36  1  0.61  0.7  0.59  1.0
  C  C37  1  0.77  0.7  0.61  1.0
  C  C38  1  0.01  0.29  0.51  1.0
  C  C39  1  0.37  0.11  0.69  1.0
  S  S40  1  0.69  0.3  0.96  1.0
  S  S41  1  0.69  0.1  0.24  1.0
  N  N42  1  0.91  0.0  0.23  1.0
  N  N43  1  0.47  0.4  0.97  1.0
  N  N44  1  0.63  0.27  0.98  1.0
  N  N45  1  0.75  0.13  0.22  1.0
  O  O46  1  0.48  0.03  0.48  1.0
  O  O47  1  0.9  0.38  0.72  1.0
  O  O48  1  0.23  0.29  0.51  1.0
  O  O49  1  0.16  0.11  0.69  1.0
  O  O50  1  0.06  0.29  0.95  1.0
  O  O51  1  0.32  0.12  0.25  1.0

data_AgH10C9SN2O3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.37
_cell_length_b   7.88
_cell_length_c   9.85
_cell_angle_alpha   110.39
_cell_angle_beta   93.12
_cell_angle_gamma   93.27
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgH10C9SN2O3
_chemical_formula_sum   'Ag2 H20 C18 S2 N4 O6'
_cell_volume   533.36
_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
  Ag  Ag0  2  0.17  0.4  0.46  1.0
  H  H1  2  0.17  0.96  0.75  1.0
  H  H2  2  0.23  0.24  0.93  1.0
  H  H3  2  0.24  0.1  0.07  1.0
  H  H4  2  0.28  0.5  0.93  1.0
  H  H5  2  0.28  0.85  0.84  1.0
  H  H6  2  0.29  0.03  0.41  1.0
  H  H7  2  0.37  0.03  0.32  1.0
  H  H8  2  0.37  0.16  0.72  1.0
  H  H9  2  0.41  0.6  0.27  1.0
  H  H10  2  0.49  0.78  0.12  1.0
  C  C11  2  0.07  0.39  0.22  1.0
  C  C12  2  0.18  0.91  0.59  1.0
  C  C13  2  0.26  0.19  0.74  1.0
  C  C14  2  0.26  0.0  0.9  1.0
  C  C15  2  0.28  0.99  0.68  1.0
  C  C16  2  0.37  0.78  0.04  1.0
  C  C17  2  0.42  0.68  0.3  1.0
  C  C18  2  0.42  0.5  0.49  1.0
  C  C19  2  0.44  0.82  0.4  1.0
  S  S20  2  0.5  0.1  0.86  1.0
  N  N21  2  0.28  0.2  0.87  1.0
  N  N22  2  0.44  0.07  0.88  1.0
  O  O23  2  0.03  0.09  0.41  1.0
  O  O24  2  0.13  0.92  0.15  1.0
  O  O25  2  0.29  0.82  0.38  1.0

Ag Ag H H H H H H H H H H H H H H H H H H H H C C C C C C C C C C C C C C C C C C S S N N N N O O O O O O