data_[C32N32O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7648]
_cell_length_b [8.8059]
_cell_length_c [13.9006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CNO2]
_chemical_formula_sum '[C32 N32 O64]'
_cell_volume [1547.1914]
_cell_formula_units_Z [32]
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
[
  C  C0  8  0.0051  0.0212  0.3068  1
  C  C1  8  0.0066  0.2738  0.3069  1
  C  C2  8  0.0818  0.1488  0.1967  1
  C  C3  8  0.0934  0.1461  0.3104  1
  N  N4  8  0.0088  0.4152  0.3675  1
  N  N5  8  0.0176  0.1196  0.8677  1
  N  N6  8  0.1738  0.1463  0.1404  1
  N  N7  8  0.1971  0.1477  0.3759  1
  O  O8  8  0.0328  0.1275  0.5638  1
  O  O9  8  0.0615  0.4937  0.6615  1
  O  O10  8  0.0772  0.4246  0.4382  1
  O  O11  8  0.0808  0.2118  0.8427  1
  O  O12  8  0.1712  0.2337  0.0716  1
  O  O13  8  0.2060  0.0631  0.4465  1
  O  O14  8  0.2378  0.2628  0.6483  1
  O  O15  8  0.2424  0.0533  0.1702  1
]