data_AgH7C6SN2O4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   9.59
_cell_length_c   10.66
_cell_angle_alpha   115.68
_cell_angle_beta   97.17
_cell_angle_gamma   91.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgH7C6SN2O4F3
_chemical_formula_sum   'Ag2 H14 C12 S2 N4 O8 F6'
_cell_volume   548.96
_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  0.74  0.55  0.32  1.0
  Ag  Ag1  1  0.64  0.37  0.17  1.0
  H  H2  1  0.9  0.71  0.53  1.0
  H  H3  1  0.49  0.21  0.96  1.0
  H  H4  1  0.02  0.03  0.94  1.0
  H  H5  1  0.36  0.89  0.55  1.0
  H  H6  1  0.89  0.92  0.17  1.0
  H  H7  1  0.5  0.0  0.32  1.0
  H  H8  1  0.94  0.78  0.65  1.0
  H  H9  1  0.44  0.14  0.84  1.0
  H  H10  1  0.99  0.1  0.99  1.0
  H  H11  1  0.39  0.82  0.49  1.0
  H  H12  1  0.65  0.55  0.5  1.0
  H  H13  1  0.74  0.37  0.99  1.0
  H  H14  1  0.03  0.89  0.84  1.0
  H  H15  1  0.35  0.03  0.65  1.0
  C  C16  1  0.25  0.9  0.85  1.0
  C  C17  1  0.14  0.02  0.64  1.0
  C  C18  1  0.3  0.54  0.57  1.0
  C  C19  1  0.09  0.38  0.92  1.0
  C  C20  1  0.24  0.94  0.24  1.0
  C  C21  1  0.15  0.98  0.25  1.0
  C  C22  1  0.54  0.98  0.91  1.0
  C  C23  1  0.84  0.94  0.58  1.0
  C  C24  1  0.37  0.8  0.69  1.0
  C  C25  1  0.02  0.12  0.8  1.0
  C  C26  1  0.99  0.15  0.51  1.0
  C  C27  1  0.4  0.77  0.98  1.0
  S  S28  1  0.25  0.73  0.71  1.0
  S  S29  1  0.14  0.18  0.78  1.0
  N  N30  1  0.78  0.68  0.45  1.0
  N  N31  1  0.61  0.23  0.04  1.0
  N  N32  1  0.22  0.15  0.64  1.0
  N  N33  1  0.17  0.76  0.84  1.0
  O  O34  1  0.38  0.81  0.75  1.0
  O  O35  1  0.01  0.11  0.74  1.0
  O  O36  1  0.97  0.14  0.32  1.0
  O  O37  1  0.42  0.78  0.17  1.0
  O  O38  1  0.54  0.02  0.08  1.0
  O  O39  1  0.85  0.89  0.41  1.0
  O  O40  1  0.1  0.7  0.75  1.0
  O  O41  1  0.28  0.21  0.74  1.0
  F  F42  1  0.89  0.92  0.67  1.0
  F  F43  1  0.5  0.99  0.82  1.0
  F  F44  1  0.05  0.82  0.01  1.0
  F  F45  1  0.33  0.1  0.48  1.0
  F  F46  1  0.81  0.01  0.24  1.0
  F  F47  1  0.58  0.91  0.25  1.0

data_AgH7C6SN2O4F3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.04
_cell_length_b   9.59
_cell_length_c   10.66
_cell_angle_alpha   115.68
_cell_angle_beta   97.17
_cell_angle_gamma   91.91
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgH7C6SN2O4F3
_chemical_formula_sum   'Ag2 H14 C12 S2 N4 O8 F6'
_cell_volume   548.96
_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  0.45  0.91  0.92  1.0
  H  H1  2  0.16  0.57  0.4  1.0
  H  H2  2  0.17  0.43  0.31  1.0
  H  H3  2  0.2  0.36  0.25  1.0
  H  H4  2  0.25  0.68  0.6  1.0
  H  H5  2  0.29  0.75  0.71  1.0
  H  H6  2  0.31  0.54  0.08  1.0
  H  H7  2  0.45  0.09  0.25  1.0
  C  C8  2  0.05  0.48  1.0  1.0
  C  C9  2  0.06  0.44  0.6  1.0
  C  C10  2  0.11  0.08  0.32  1.0
  C  C11  2  0.18  0.34  0.45  1.0
  C  C12  2  0.2  0.31  0.73  1.0
  C  C13  2  0.35  0.52  0.67  1.0
  S  S14  2  0.06  0.28  0.47  1.0
  N  N15  2  0.02  0.7  0.4  1.0
  N  N16  2  0.41  0.77  0.79  1.0
  O  O17  2  0.09  0.75  0.49  1.0
  O  O18  2  0.19  0.35  0.51  1.0
  O  O19  2  0.22  0.32  0.93  1.0
  O  O20  2  0.35  0.57  0.84  1.0
  F  F21  2  0.14  0.64  0.23  1.0
  F  F22  2  0.31  0.53  0.58  1.0
  F  F23  2  0.38  0.45  0.01  1.0

Ag Ag 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 S S N N N N O O O O O O O O F F F F F F
Ag Ag 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 S S N N N N O O O O O O O O F F F F F F 0 30 o o o 0 12 o o o 1 31 o o o 1 13 o o - 2 30 o o o 2 8 o o o 2 12 o o o 3 9 o o o 3 31 o o + 3 13 o o o 4 10 - o o 4 14 o - o 5 11 o o o 5 15 o + o 6 46 o + o 6 44 + o o 7 47 o - o 7 45 o o o 12 30 o o o 12 18 o o o 13 31 o o + 13 19 + o o 14 33 o o o 14 16 o o o 14 44 o o + 15 17 o o o 15 32 o o o 15 45 o o o 16 33 o o o 16 34 o o o 17 35 o o o 17 32 o o o 18 40 o o o 18 28 o o o 18 34 o o o 18 24 o o o 19 35 o o o 19 25 o o o 19 41 o o o 19 29 o o o 20 21 o o o 20 44 o o o 20 45 o + o 21 44 o o o 21 45 o + o 22 43 o o o 22 38 o + + 23 42 o o o 23 39 o o o 24 34 o o o 24 28 o o o 25 35 o o o 25 29 o o o 26 36 o o o 26 39 o - o 26 45 + o o 26 32 + o o 27 33 o o o 27 44 o o + 27 38 o + + 27 37 o o + 28 40 o o o 28 34 o o o 29 35 o o o 29 41 o o o 32 41 o o o 32 45 o o o 33 40 o o o 33 44 o o + 36 46 o o o 37 47 o o o 