data_HgH5C5NCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   7.23
_cell_length_c   10.1
_cell_angle_alpha   75.51
_cell_angle_beta   73.05
_cell_angle_gamma   63.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgH5C5NCl2O
_chemical_formula_sum   'Hg2 H10 C10 N2 Cl4 O2'
_cell_volume   406.01
_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
  Hg  Hg0  1  0.85  0.51  0.39  1.0
  Hg  Hg1  1  0.89  0.31  0.18  1.0
  H  H2  1  0.08  0.88  0.27  1.0
  H  H3  1  0.67  0.95  0.29  1.0
  H  H4  1  0.89  0.0  0.59  1.0
  H  H5  1  0.85  0.82  0.97  1.0
  H  H6  1  0.19  0.57  0.55  1.0
  H  H7  1  0.55  0.26  0.01  1.0
  H  H8  1  0.58  0.96  0.09  1.0
  H  H9  1  0.16  0.86  0.48  1.0
  H  H10  1  0.25  0.68  0.69  1.0
  H  H11  1  0.49  0.14  0.88  1.0
  C  C12  1  0.98  0.5  0.16  1.0
  C  C13  1  0.76  0.32  0.41  1.0
  C  C14  1  0.19  0.05  0.46  1.0
  C  C15  1  0.55  0.77  0.11  1.0
  C  C16  1  0.04  0.92  0.53  1.0
  C  C17  1  0.7  0.9  0.03  1.0
  C  C18  1  0.7  0.25  0.28  1.0
  C  C19  1  0.04  0.57  0.29  1.0
  C  C20  1  0.51  0.67  0.97  1.0
  C  C21  1  0.24  0.15  0.59  1.0
  N  N22  1  0.64  0.8  0.94  1.0
  N  N23  1  0.1  0.02  0.63  1.0
  Cl  Cl24  1  0.72  0.51  0.75  1.0
  Cl  Cl25  1  0.02  0.32  0.82  1.0
  Cl  Cl26  1  0.55  0.48  0.39  1.0
  Cl  Cl27  1  0.19  0.34  0.17  1.0
  O  O28  1  0.43  0.2  0.69  1.0
  O  O29  1  0.31  0.62  0.88  1.0

data_HgH5C5NCl2O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.56
_cell_length_b   7.23
_cell_length_c   10.1
_cell_angle_alpha   75.51
_cell_angle_beta   73.05
_cell_angle_gamma   63.43
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgH5C5NCl2O
_chemical_formula_sum   'Hg2 H10 C10 N2 Cl4 O2'
_cell_volume   406.01
_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
  Hg  Hg0  2  0.48  0.1  0.11  1.0
  H  H1  2  0.12  0.73  0.6  1.0
  H  H2  2  0.18  0.84  0.73  1.0
  H  H3  2  0.21  0.55  0.8  1.0
  H  H4  2  0.29  0.53  0.01  1.0
  H  H5  2  0.48  0.41  0.69  1.0
  C  C6  2  0.13  0.26  0.69  1.0
  C  C7  2  0.18  0.36  0.83  1.0
  C  C8  2  0.33  0.49  0.75  1.0
  C  C9  2  0.33  0.84  0.99  1.0
  C  C10  2  0.39  0.91  0.12  1.0
  N  N11  2  0.27  0.39  0.65  1.0
  Cl  Cl12  2  0.18  0.07  0.11  1.0
  Cl  Cl13  2  0.35  0.1  0.47  1.0
  O  O14  2  0.06  0.79  0.4  1.0

Hg Hg H H H H H H H H H H C C C C C C C C C C N N Cl Cl Cl Cl O O