data_AgH2CN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   10.35
_cell_length_c   11.66
_cell_angle_alpha   90.0
_cell_angle_beta   101.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgH2CN5
_chemical_formula_sum   'Ag4 H8 C4 N20'
_cell_volume   398.39
_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
  Ag  Ag0  1  1.0  0.58  0.52  1.0
  Ag  Ag1  1  0.17  0.76  0.18  1.0
  Ag  Ag2  1  0.96  0.77  0.89  1.0
  Ag  Ag3  1  0.79  0.59  0.23  1.0
  H  H4  1  0.97  0.9  0.53  1.0
  H  H5  1  0.79  0.07  0.58  1.0
  H  H6  1  0.99  0.46  0.88  1.0
  H  H7  1  0.17  0.28  0.83  1.0
  H  H8  1  0.03  0.26  0.24  1.0
  H  H9  1  0.72  0.44  0.88  1.0
  H  H10  1  0.93  0.09  0.17  1.0
  H  H11  1  0.24  0.91  0.53  1.0
  C  C12  1  0.04  0.87  0.27  1.0
  C  C13  1  0.71  0.04  0.84  1.0
  C  C14  1  0.92  0.49  0.14  1.0
  C  C15  1  0.25  0.31  0.57  1.0
  N  N16  1  0.79  0.77  0.53  1.0
  N  N17  1  0.96  0.94  0.59  1.0
  N  N18  1  0.17  0.59  0.88  1.0
  N  N19  1  1.0  0.41  0.82  1.0
  N  N20  1  0.17  0.71  0.3  1.0
  N  N21  1  0.59  0.89  0.82  1.0
  N  N22  1  0.79  0.64  0.11  1.0
  N  N23  1  0.37  0.46  0.59  1.0
  N  N24  1  0.26  0.14  0.43  1.0
  N  N25  1  0.49  0.32  0.68  1.0
  N  N26  1  0.7  0.21  0.98  1.0
  N  N27  1  0.47  0.03  0.73  1.0
  N  N28  1  0.57  0.5  0.46  1.0
  N  N29  1  0.19  0.67  0.65  1.0
  N  N30  1  0.39  0.86  0.95  1.0
  N  N31  1  0.77  0.68  0.76  1.0
  N  N32  1  0.84  0.14  0.84  1.0
  N  N33  1  0.91  0.32  0.27  1.0
  N  N34  1  0.12  0.21  0.57  1.0
  N  N35  1  0.05  0.04  0.14  1.0

data_AgH2CN5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.37
_cell_length_b   10.35
_cell_length_c   11.45
_cell_angle_alpha   90.0
_cell_angle_beta   94.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgH2CN5
_chemical_formula_sum   'Ag4 H8 C4 N20'
_cell_volume   398.39
_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
  Ag  Ag0  2  0.2  0.09  0.18  1.0
  Ag  Ag1  2  0.29  0.08  0.48  1.0
  H  H2  2  0.07  0.4  0.88  1.0
  H  H3  2  0.16  0.78  0.17  1.0
  H  H4  2  0.43  0.76  0.17  1.0
  H  H5  2  0.48  0.59  0.53  1.0
  C  C6  2  0.41  0.37  0.14  1.0
  C  C7  2  0.5  0.81  0.43  1.0
  N  N8  2  0.01  0.09  0.82  1.0
  N  N9  2  0.1  0.73  0.12  1.0
  N  N10  2  0.17  0.82  0.76  1.0
  N  N11  2  0.26  0.0  0.05  1.0
  N  N12  2  0.28  0.46  0.14  1.0
  N  N13  2  0.36  0.36  0.43  1.0
  N  N14  2  0.41  0.04  0.59  1.0
  N  N15  2  0.45  0.47  0.73  1.0
  N  N16  2  0.46  0.64  0.98  1.0
  N  N17  2  0.5  0.79  0.89  1.0

Ag Ag Ag Ag H H H H H H H H C C C C N N N N N N N N N N N N N N N N N N N N