data_ZnH6C10N4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   8.04
_cell_length_c   9.66
_cell_angle_alpha   112.56
_cell_angle_beta   104.94
_cell_angle_gamma   94.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH6C10N4O5
_chemical_formula_sum   'Zn2 H12 C20 N8 O10'
_cell_volume   498.83
_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
  Zn  Zn0  1  0.65  0.74  0.59  1.0
  Zn  Zn1  1  0.59  0.37  0.89  1.0
  H  H2  1  0.32  0.85  0.17  1.0
  H  H3  1  0.92  0.26  0.31  1.0
  H  H4  1  0.86  0.63  0.65  1.0
  H  H5  1  0.38  0.48  0.82  1.0
  H  H6  1  0.98  0.06  0.83  1.0
  H  H7  1  0.26  0.05  0.65  1.0
  H  H8  1  0.67  0.58  0.31  1.0
  H  H9  1  0.57  0.53  0.17  1.0
  H  H10  1  0.88  0.06  0.4  1.0
  H  H11  1  0.36  0.05  0.08  1.0
  H  H12  1  0.1  0.32  0.72  1.0
  H  H13  1  0.14  0.79  0.76  1.0
  C  C14  1  0.93  0.58  0.05  1.0
  C  C15  1  0.31  0.54  0.43  1.0
  C  C16  1  0.28  0.13  0.82  1.0
  C  C17  1  0.96  0.99  0.66  1.0
  C  C18  1  0.83  0.81  0.21  1.0
  C  C19  1  0.41  0.3  0.26  1.0
  C  C20  1  0.2  0.81  0.07  1.0
  C  C21  1  0.04  0.3  0.4  1.0
  C  C22  1  0.32  0.56  0.82  1.0
  C  C23  1  0.92  0.55  0.65  1.0
  C  C24  1  0.68  0.82  0.6  1.0
  C  C25  1  0.56  0.3  0.88  1.0
  C  C26  1  0.07  0.56  0.42  1.0
  C  C27  1  0.17  0.55  0.06  1.0
  C  C28  1  0.62  0.0  0.66  1.0
  C  C29  1  0.62  0.11  0.82  1.0
  C  C30  1  0.47  0.84  0.83  1.0
  C  C31  1  0.77  0.28  0.65  1.0
  C  C32  1  0.22  0.07  0.45  1.0
  C  C33  1  0.02  0.04  0.02  1.0
  N  N34  1  0.33  0.87  0.36  1.0
  N  N35  1  0.91  0.24  0.12  1.0
  N  N36  1  0.51  0.62  0.69  1.0
  N  N37  1  0.73  0.49  0.79  1.0
  N  N38  1  0.38  0.87  0.72  1.0
  N  N39  1  0.86  0.25  0.76  1.0
  N  N40  1  0.12  0.02  0.75  1.0
  N  N41  1  0.12  0.09  0.73  1.0
  O  O42  1  0.25  0.37  0.71  1.0
  O  O43  1  0.99  0.74  0.77  1.0
  O  O44  1  0.35  0.05  0.42  1.0
  O  O45  1  0.88  0.07  0.05  1.0
  O  O46  1  0.54  0.08  0.82  1.0
  O  O47  1  0.69  0.04  0.66  1.0
  O  O48  1  0.62  0.66  0.71  1.0
  O  O49  1  0.62  0.46  0.77  1.0
  O  O50  1  0.8  0.88  0.28  1.0
  O  O51  1  0.44  0.23  0.2  1.0

data_ZnH6C10N4O5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.34
_cell_length_b   8.04
_cell_length_c   9.66
_cell_angle_alpha   112.56
_cell_angle_beta   104.94
_cell_angle_gamma   94.33
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnH6C10N4O5
_chemical_formula_sum   'Zn2 H12 C20 N8 O10'
_cell_volume   498.83
_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
  Zn  Zn0  2  0.47  0.32  0.65  1.0
  H  H1  2  0.02  0.74  0.52  1.0
  H  H2  2  0.14  1.0  0.41  1.0
  H  H3  2  0.2  0.8  0.93  1.0
  H  H4  2  0.24  0.99  0.84  1.0
  H  H5  2  0.26  0.42  0.58  1.0
  H  H6  2  0.45  0.48  0.93  1.0
  C  C7  2  0.05  0.49  0.82  1.0
  C  C8  2  0.08  0.76  0.83  1.0
  C  C9  2  0.1  0.02  0.21  1.0
  C  C10  2  0.16  0.07  0.58  1.0
  C  C11  2  0.19  0.48  0.19  1.0
  C  C12  2  0.2  0.51  0.58  1.0
  C  C13  2  0.29  0.24  0.02  1.0
  C  C14  2  0.35  0.78  0.59  1.0
  C  C15  2  0.44  0.24  0.64  1.0
  C  C16  2  0.5  0.94  0.42  1.0
  N  N17  2  0.0  0.96  0.51  1.0
  N  N18  2  0.21  0.82  0.12  1.0
  N  N19  2  0.26  0.81  0.48  1.0
  N  N20  2  0.39  0.56  0.45  1.0
  O  O21  2  0.13  0.32  0.47  1.0
  O  O22  2  0.23  0.99  0.18  1.0
  O  O23  2  0.32  0.17  0.96  1.0
  O  O24  2  0.42  0.02  0.58  1.0
  O  O25  2  0.5  0.6  0.47  1.0

Zn Zn 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 O O O O O O O O O O
Zn Zn 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 O O O O O O O O O O 0 24 o o o 1 25 o o o 2 20 o o o 3 21 + o o 4 23 o o o 4 43 o o o 5 22 o o o 5 42 o o o 6 17 o - o 6 40 + o o 6 41 + o o 7 40 o o o 7 41 o o o 7 16 o o o 8 9 o o o 10 50 o - o 11 51 o o o 12 42 o o o 13 43 - o o 14 27 + o o 15 26 o o o 16 41 o o o 16 40 o o o 17 41 + + o 17 40 + + o 18 50 o o o 19 51 o o o 20 27 o o o 21 26 o o o 28 47 o o o 29 46 o o o 30 38 o o o 31 39 o o o 32 44 o o o 33 45 - o o 34 44 o + o 35 45 o o o 36 48 o o o 37 49 o o o 40 41 o o o 