data_H5NO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   7.91
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   111.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H5NO2
_chemical_formula_sum   'H20 N4 O8'
_cell_volume   294.75
_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
  H  H0  1  0.39  0.12  0.85  1.0
  H  H1  1  0.86  0.54  0.9  1.0
  H  H2  1  0.38  0.15  0.29  1.0
  H  H3  1  0.62  0.77  0.22  1.0
  H  H4  1  0.47  0.76  0.6  1.0
  H  H5  1  0.71  0.14  0.53  1.0
  H  H6  1  0.47  0.79  0.16  1.0
  H  H7  1  0.95  0.37  0.21  1.0
  H  H8  1  0.61  0.23  0.45  1.0
  H  H9  1  0.24  0.57  0.33  1.0
  H  H10  1  0.92  0.37  0.75  1.0
  H  H11  1  0.34  0.51  0.81  1.0
  H  H12  1  0.06  0.35  0.2  1.0
  H  H13  1  0.87  0.47  0.27  1.0
  H  H14  1  0.95  0.44  0.58  1.0
  H  H15  1  0.98  0.56  0.89  1.0
  H  H16  1  0.43  0.4  0.12  1.0
  H  H17  1  0.53  0.68  0.14  1.0
  H  H18  1  0.0  0.54  0.06  1.0
  H  H19  1  0.32  0.34  0.64  1.0
  N  N20  1  0.8  0.78  0.54  1.0
  N  N21  1  0.8  0.64  0.26  1.0
  N  N22  1  0.72  0.27  0.95  1.0
  N  N23  1  0.72  0.14  0.24  1.0
  O  O24  1  0.51  0.22  0.01  1.0
  O  O25  1  0.14  0.41  0.69  1.0
  O  O26  1  0.06  0.5  0.38  1.0
  O  O27  1  0.43  0.7  0.7  1.0
  O  O28  1  0.13  0.21  0.29  1.0
  O  O29  1  0.51  0.11  0.42  1.0
  O  O30  1  0.43  0.8  0.11  1.0
  O  O31  1  0.04  0.7  0.98  1.0

data_H5NO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.8
_cell_length_b   6.92
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H5NO2
_chemical_formula_sum   'H20 N4 O8'
_cell_volume   294.75
_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
  H  H0  1  0.06  0.0  0.54  1.0
  H  H1  1  0.12  0.43  0.4  1.0
  H  H2  1  0.14  0.53  0.68  1.0
  H  H3  1  0.16  0.47  0.79  1.0
  H  H4  1  0.2  0.06  0.35  1.0
  H  H5  1  0.21  0.95  0.37  1.0
  H  H6  1  0.22  0.62  0.77  1.0
  H  H7  1  0.27  0.87  0.47  1.0
  H  H8  1  0.29  0.38  0.15  1.0
  H  H9  1  0.33  0.24  0.57  1.0
  H  H10  1  0.45  0.61  0.23  1.0
  H  H11  1  0.53  0.71  0.14  1.0
  H  H12  1  0.58  0.95  0.44  1.0
  H  H13  1  0.6  0.47  0.76  1.0
  H  H14  1  0.64  0.32  0.34  1.0
  H  H15  1  0.75  0.92  0.37  1.0
  H  H16  1  0.81  0.34  0.51  1.0
  H  H17  1  0.85  0.39  0.12  1.0
  H  H18  1  0.89  0.98  0.56  1.0
  H  H19  1  0.9  0.86  0.54  1.0
  N  N20  1  0.24  0.72  0.14  1.0
  N  N21  1  0.26  0.8  0.64  1.0
  N  N22  1  0.54  0.8  0.78  1.0
  N  N23  1  0.95  0.72  0.27  1.0
  O  O24  1  0.01  0.51  0.22  1.0
  O  O25  1  0.11  0.43  0.8  1.0
  O  O26  1  0.29  0.13  0.21  1.0
  O  O27  1  0.38  0.06  0.5  1.0
  O  O28  1  0.42  0.51  0.11  1.0
  O  O29  1  0.69  0.14  0.41  1.0
  O  O30  1  0.7  0.43  0.7  1.0
  O  O31  1  0.98  0.04  0.7  1.0

H H H H H H H H H H H H H H H H H H H H N N N N O O O O O O O O