data_HgH4C5N3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   11.49
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   108.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgH4C5N3O2
_chemical_formula_sum   'Hg4 H16 C20 N12 O8'
_cell_volume   699.8
_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
  Hg  Hg0  1  0.41  0.39  0.85  1.0
  Hg  Hg1  1  0.59  0.64  0.28  1.0
  Hg  Hg2  1  0.21  0.1  0.4  1.0
  Hg  Hg3  1  0.02  0.85  0.97  1.0
  H  H4  1  0.75  0.53  0.73  1.0
  H  H5  1  0.48  0.79  0.65  1.0
  H  H6  1  0.86  0.96  0.52  1.0
  H  H7  1  0.14  0.7  0.6  1.0
  H  H8  1  0.13  0.11  0.21  1.0
  H  H9  1  0.11  0.36  0.16  1.0
  H  H10  1  0.49  0.38  0.04  1.0
  H  H11  1  0.51  0.13  0.09  1.0
  H  H12  1  0.75  0.09  0.07  1.0
  H  H13  1  0.25  0.84  0.06  1.0
  H  H14  1  0.87  0.39  0.18  1.0
  H  H15  1  0.37  0.65  0.19  1.0
  H  H16  1  0.78  0.86  0.46  1.0
  H  H17  1  0.22  0.6  0.67  1.0
  H  H18  1  0.84  0.63  0.79  1.0
  H  H19  1  0.4  0.88  0.58  1.0
  C  C20  1  0.9  0.31  0.31  1.0
  C  C21  1  0.1  0.57  0.82  1.0
  C  C22  1  0.72  0.18  0.95  1.0
  C  C23  1  0.52  0.92  0.43  1.0
  C  C24  1  0.1  0.4  0.3  1.0
  C  C25  1  0.9  0.65  0.83  1.0
  C  C26  1  0.51  0.09  0.95  1.0
  C  C27  1  0.72  0.84  0.42  1.0
  C  C28  1  0.84  0.53  0.19  1.0
  C  C29  1  0.39  0.78  0.19  1.0
  C  C30  1  0.77  0.96  0.06  1.0
  C  C31  1  0.23  0.71  0.06  1.0
  C  C32  1  0.88  0.75  0.12  1.0
  C  C33  1  0.12  0.01  0.0  1.0
  C  C34  1  0.74  0.74  0.13  1.0
  C  C35  1  0.5  0.48  0.25  1.0
  C  C36  1  0.8  0.61  0.25  1.0
  C  C37  1  0.2  0.35  0.87  1.0
  C  C38  1  0.82  0.88  1.0  1.0
  C  C39  1  0.42  0.14  0.38  1.0
  N  N40  1  0.13  0.42  0.38  1.0
  N  N41  1  0.87  0.68  0.74  1.0
  N  N42  1  0.48  0.06  0.87  1.0
  N  N43  1  0.75  0.81  0.51  1.0
  N  N44  1  0.9  0.68  0.08  1.0
  N  N45  1  0.1  0.94  0.05  1.0
  N  N46  1  0.72  0.81  0.17  1.0
  N  N47  1  0.51  0.55  0.2  1.0
  N  N48  1  0.9  0.45  0.17  1.0
  N  N49  1  0.33  0.7  0.21  1.0
  N  N50  1  0.71  0.04  0.09  1.0
  N  N51  1  0.29  0.79  0.04  1.0
  O  O52  1  0.97  0.12  0.46  1.0
  O  O53  1  0.03  0.37  0.66  1.0
  O  O54  1  0.65  0.37  0.79  1.0
  O  O55  1  0.58  0.11  0.59  1.0
  O  O56  1  0.92  0.24  0.17  1.0
  O  O57  1  0.31  0.5  0.21  1.0
  O  O58  1  0.7  0.25  0.08  1.0
  O  O59  1  0.3  0.99  0.04  1.0

data_HgH4C5N3O2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.38
_cell_length_b   8.7
_cell_length_c   11.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.54
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgH4C5N3O2
_chemical_formula_sum   'Hg4 H16 C20 N12 O8'
_cell_volume   699.8
_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
  Hg  Hg0  2  0.22  0.35  0.1  1.0
  Hg  Hg1  2  0.4  0.78  0.36  1.0
  H  H2  2  0.03  0.17  0.88  1.0
  H  H3  2  0.06  0.9  0.21  1.0
  H  H4  2  0.06  0.56  0.65  1.0
  H  H5  2  0.3  0.54  0.62  1.0
  H  H6  2  0.32  0.59  0.36  1.0
  H  H7  2  0.33  0.98  0.96  1.0
  H  H8  2  0.41  0.04  0.86  1.0
  H  H9  2  0.44  0.43  0.09  1.0
  C  C10  2  0.01  0.37  0.14  1.0
  C  C11  2  0.04  0.56  0.78  1.0
  C  C12  2  0.07  0.5  0.01  1.0
  C  C13  2  0.09  0.2  0.91  1.0
  C  C14  2  0.09  0.68  0.57  1.0
  C  C15  2  0.29  0.19  0.82  1.0
  C  C16  2  0.3  0.67  0.65  1.0
  C  C17  2  0.31  0.38  0.26  1.0
  C  C18  2  0.39  0.25  0.61  1.0
  C  C19  2  0.42  0.44  0.96  1.0
  N  N20  2  0.06  0.12  0.94  1.0
  N  N21  2  0.09  0.45  0.94  1.0
  N  N22  2  0.1  0.54  0.7  1.0
  N  N23  2  0.29  0.42  0.19  1.0
  N  N24  2  0.33  0.76  0.68  1.0
  N  N25  2  0.48  0.41  0.04  1.0
  O  O26  2  0.11  0.54  0.5  1.0
  O  O27  2  0.16  0.84  0.37  1.0
  O  O28  2  0.22  0.04  0.63  1.0
  O  O29  2  0.5  0.42  0.25  1.0

Hg Hg Hg Hg 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 C C N N N N N N N N N N N N O O O O O O O O