data_ZnPH5C3(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   7.62
_cell_length_c   17.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPH5C3(NO2)2
_chemical_formula_sum   'Zn4 P4 H20 C12 N8 O16'
_cell_volume   682.28
_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
  Zn  Zn0  1  0.59  0.74  0.11  1.0
  Zn  Zn1  1  0.61  0.07  0.35  1.0
  Zn  Zn2  1  0.49  0.88  0.4  1.0
  Zn  Zn3  1  0.47  0.55  0.15  1.0
  P  P4  1  0.23  0.97  0.23  1.0
  P  P5  1  0.21  0.83  0.98  1.0
  P  P6  1  0.84  0.64  0.27  1.0
  P  P7  1  0.86  0.78  0.52  1.0
  H  H8  1  0.97  0.39  0.43  1.0
  H  H9  1  0.94  0.03  0.19  1.0
  H  H10  1  0.11  0.22  0.07  1.0
  H  H11  1  0.13  0.58  0.32  1.0
  H  H12  1  0.91  0.25  0.56  1.0
  H  H13  1  0.93  0.56  0.8  1.0
  H  H14  1  0.17  0.37  0.95  1.0
  H  H15  1  0.15  0.05  0.7  1.0
  H  H16  1  0.91  0.5  0.95  1.0
  H  H17  1  0.93  0.31  0.2  1.0
  H  H18  1  0.17  0.11  0.55  1.0
  H  H19  1  0.15  0.31  0.31  1.0
  H  H20  1  0.57  0.15  0.14  1.0
  H  H21  1  0.59  0.66  0.39  1.0
  H  H22  1  0.5  0.47  0.37  1.0
  H  H23  1  0.48  0.96  0.12  1.0
  H  H24  1  0.0  0.32  0.38  1.0
  H  H25  1  0.03  0.49  0.63  1.0
  H  H26  1  0.07  0.3  0.13  1.0
  H  H27  1  0.05  0.12  0.88  1.0
  C  C28  1  0.58  0.35  0.97  1.0
  C  C29  1  0.6  0.46  0.22  1.0
  C  C30  1  0.5  0.27  0.53  1.0
  C  C31  1  0.48  0.15  0.29  1.0
  C  C32  1  0.28  0.62  0.62  1.0
  C  C33  1  0.3  0.19  0.87  1.0
  C  C34  1  0.79  0.99  0.89  1.0
  C  C35  1  0.77  0.43  0.64  1.0
  C  C36  1  0.11  0.74  0.17  1.0
  C  C37  1  0.13  0.07  0.42  1.0
  C  C38  1  0.97  0.87  0.33  1.0
  C  C39  1  0.95  0.55  0.08  1.0
  N  N40  1  0.29  0.28  0.19  1.0
  N  N41  1  0.31  0.53  0.44  1.0
  N  N42  1  0.78  0.33  0.31  1.0
  N  N43  1  0.76  0.09  0.06  1.0
  N  N44  1  0.43  0.64  0.28  1.0
  N  N45  1  0.45  0.17  0.52  1.0
  N  N46  1  0.64  0.97  0.23  1.0
  N  N47  1  0.62  0.45  0.98  1.0
  O  O48  1  0.48  0.4  0.45  1.0
  O  O49  1  0.5  0.41  0.7  1.0
  O  O50  1  0.6  0.22  0.06  1.0
  O  O51  1  0.58  0.21  0.81  1.0
  O  O52  1  0.06  1.0  0.37  1.0
  O  O53  1  0.04  0.81  0.12  1.0
  O  O54  1  0.01  0.62  0.13  1.0
  O  O55  1  0.03  0.81  0.38  1.0
  O  O56  1  0.57  0.69  0.43  1.0
  O  O57  1  0.59  0.11  0.68  1.0
  O  O58  1  0.5  0.92  0.07  1.0
  O  O59  1  0.48  0.5  0.82  1.0
  O  O60  1  0.64  0.64  0.85  1.0
  O  O61  1  0.62  0.17  0.6  1.0
  O  O62  1  0.43  0.98  0.65  1.0
  O  O63  1  0.46  0.45  0.9  1.0

data_ZnPH5C3(NO2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.12
_cell_length_b   7.62
_cell_length_c   17.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnPH5C3(NO2)2
_chemical_formula_sum   'Zn4 P4 H20 C12 N8 O16'
_cell_volume   682.28
_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
  Zn  Zn0  2  0.43  0.24  0.9  1.0
  Zn  Zn1  2  0.45  0.57  0.15  1.0
  P  P2  2  0.17  0.53  0.73  1.0
  P  P3  2  0.19  0.67  0.98  1.0
  H  H4  2  0.01  0.82  0.63  1.0
  H  H5  2  0.03  0.99  0.87  1.0
  H  H6  2  0.07  0.92  0.82  1.0
  H  H7  2  0.09  0.28  0.07  1.0
  H  H8  2  0.11  0.0  0.05  1.0
  H  H9  2  0.11  0.75  0.45  1.0
  H  H10  2  0.13  0.81  0.3  1.0
  H  H11  2  0.13  0.06  0.7  1.0
  H  H12  2  0.44  0.65  0.87  1.0
  H  H13  2  0.46  0.16  0.11  1.0
  C  C14  2  0.07  0.43  0.92  1.0
  C  C15  2  0.09  0.76  0.17  1.0
  C  C16  2  0.24  0.31  0.37  1.0
  C  C17  2  0.26  0.88  0.61  1.0
  C  C18  2  0.44  0.85  0.03  1.0
  C  C19  2  0.46  0.96  0.28  1.0
  N  N20  2  0.25  0.97  0.94  1.0
  N  N21  2  0.28  0.22  0.19  1.0
  N  N22  2  0.39  0.33  0.02  1.0
  N  N23  2  0.41  0.86  0.27  1.0
  O  O24  2  0.0  0.5  0.87  1.0
  O  O25  2  0.03  0.69  0.12  1.0
  O  O26  2  0.4  0.67  0.4  1.0
  O  O27  2  0.42  0.14  0.65  1.0
  O  O28  2  0.44  0.09  0.2  1.0
  O  O29  2  0.44  0.19  0.57  1.0
  O  O30  2  0.46  0.1  0.44  1.0
  O  O31  2  0.46  0.61  0.82  1.0

Zn Zn Zn Zn P P P P H H 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 C C C C N N N N N N N N O O O O O O O O O O O O O O O O