data_AgH9C4INO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31
_cell_length_b   9.31
_cell_length_c   9.05
_cell_angle_alpha   95.7
_cell_angle_beta   95.7
_cell_angle_gamma   27.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgH9C4INO
_chemical_formula_sum   'Ag2 H18 C8 I2 N2 O2'
_cell_volume   359.66
_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  0.36  0.08  0.46  1.0
  Ag  Ag1  1  0.8  0.08  0.55  1.0
  H  H2  1  0.43  0.13  0.0  1.0
  H  H3  1  0.73  0.13  0.0  1.0
  H  H4  1  0.54  0.9  0.56  1.0
  H  H5  1  0.62  0.9  0.44  1.0
  H  H6  1  0.91  0.68  0.07  1.0
  H  H7  1  0.25  0.68  0.93  1.0
  H  H8  1  1.0  0.75  0.1  1.0
  H  H9  1  0.16  0.75  0.91  1.0
  H  H10  1  0.85  0.82  0.02  1.0
  H  H11  1  0.31  0.82  0.98  1.0
  H  H12  1  0.05  0.58  0.51  1.0
  H  H13  1  0.11  0.58  0.49  1.0
  H  H14  1  0.29  0.98  0.3  1.0
  H  H15  1  0.87  0.98  0.71  1.0
  H  H16  1  0.42  0.25  0.33  1.0
  H  H17  1  0.74  0.25  0.67  1.0
  H  H18  1  0.81  0.16  0.98  1.0
  H  H19  1  0.35  0.16  0.03  1.0
  C  C20  1  0.12  0.51  0.15  1.0
  C  C21  1  0.04  0.51  0.85  1.0
  C  C22  1  0.33  0.94  0.43  1.0
  C  C23  1  0.83  0.94  0.58  1.0
  C  C24  1  0.23  0.21  0.37  1.0
  C  C25  1  0.93  0.21  0.64  1.0
  C  C26  1  0.94  0.58  0.03  1.0
  C  C27  1  0.22  0.58  0.97  1.0
  I  I28  1  0.7  0.02  0.84  1.0
  I  I29  1  0.46  0.02  0.16  1.0
  N  N30  1  0.27  0.33  0.26  1.0
  N  N31  1  0.89  0.33  0.74  1.0
  O  O32  1  0.92  0.58  0.29  1.0
  O  O33  1  0.24  0.58  0.72  1.0

data_AgH9C4INO
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   9.05
_cell_length_c   9.31
_cell_angle_alpha   95.7
_cell_angle_beta   103.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgH9C4INO
_chemical_formula_sum   'Ag2 H18 C8 I2 N2 O2'
_cell_volume   359.66
_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  0.08  0.46  0.44  1.0
  Ag  Ag1  1  0.08  0.55  0.88  1.0
  H  H2  1  0.13  0.0  0.86  1.0
  H  H3  1  0.13  0.0  0.56  1.0
  H  H4  1  0.16  0.03  0.51  1.0
  H  H5  1  0.16  0.98  0.97  1.0
  H  H6  1  0.25  0.33  0.67  1.0
  H  H7  1  0.25  0.67  0.99  1.0
  H  H8  1  0.58  0.49  0.69  1.0
  H  H9  1  0.58  0.51  0.63  1.0
  H  H10  1  0.68  0.07  0.58  1.0
  H  H11  1  0.68  0.93  0.93  1.0
  H  H12  1  0.75  0.1  0.75  1.0
  H  H13  1  0.75  0.91  0.91  1.0
  H  H14  1  0.82  0.02  0.66  1.0
  H  H15  1  0.82  0.98  0.13  1.0
  H  H16  1  0.9  0.44  0.52  1.0
  H  H17  1  0.9  0.56  0.45  1.0
  H  H18  1  0.98  0.3  0.27  1.0
  H  H19  1  0.98  0.71  0.85  1.0
  C  C20  1  0.21  0.37  0.44  1.0
  C  C21  1  0.21  0.64  0.14  1.0
  C  C22  1  0.51  0.15  0.63  1.0
  C  C23  1  0.51  0.85  0.55  1.0
  C  C24  1  0.58  0.03  0.52  1.0
  C  C25  1  0.58  0.97  0.8  1.0
  C  C26  1  0.94  0.43  0.26  1.0
  C  C27  1  0.94  0.58  0.77  1.0
  I  I28  1  0.02  0.16  0.49  1.0
  I  I29  1  0.02  0.84  0.72  1.0
  N  N30  1  0.33  0.26  0.59  1.0
  N  N31  1  0.33  0.74  0.22  1.0
  O  O32  1  0.58  0.29  0.5  1.0
  O  O33  1  0.58  0.72  0.82  1.0

Ag Ag 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 I I N N O O
Ag Ag 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 I I N N O O 0 24 o o o 0 5 o - o 0 4 o - o 1 23 o - o 1 15 o - o 1 17 o o o 2 19 o o o 2 21 o o - 2 29 o o o 3 18 o o - 3 28 o o - 4 5 o o o 5 32 o o o 6 26 o o o 6 10 o o o 6 20 + o o 6 21 + o - 7 9 o o o 7 11 o o o 7 27 o o o 7 33 o o o 8 10 o o o 8 27 + o - 9 11 o o o 9 27 o o o 9 33 o o o 10 21 + o - 10 28 o + - 12 13 o o o 14 22 o o o 15 23 o o o 15 17 o + o 15 28 o + o 15 33 + o o 16 30 o o o 17 25 o o o 19 21 o o - 19 29 o o o 20 30 o o o 20 32 - o o 21 26 - o + 23 33 + o o 24 32 - o o 25 31 o o o 30 32 - o o 