data_[H24C32N4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  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 [P2_1]
_cell_length_a [11.7527]
_cell_length_b [4.3974]
_cell_length_c [12.3108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [H6C8NO]
_chemical_formula_sum '[H24 C32 N4 O4]'
_cell_volume [610.6398]
_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  2  0.0026  0.4184  0.6778  1
  H  H1  2  0.0519  0.1463  0.5128  1
  H  H2  2  0.0602  0.2029  0.0072  1
  H  H3  2  0.0687  0.7841  0.8396  1
  H  H4  2  0.1311  0.7482  0.2295  1
  H  H5  2  0.1972  0.0593  0.4027  1
  H  H6  2  0.3392  0.9503  0.3008  1
  H  H7  2  0.3748  0.1528  0.9126  1
  H  H8  2  0.3940  0.3172  0.4558  1
  H  H9  2  0.4465  0.3953  0.0602  1
  H  H10  2  0.4659  0.8215  0.6933  1
  H  H11  2  0.4942  0.7753  0.2143  1
  C  C12  2  0.0897  0.5262  0.6976  1
  C  C13  2  0.1255  0.7250  0.7865  1
  C  C14  2  0.1375  0.2609  0.5357  1
  C  C15  2  0.1663  0.4575  0.6301  1
  C  C16  2  0.1733  0.4680  0.1036  1
  C  C17  2  0.2011  0.6760  0.1928  1
  C  C18  2  0.2187  0.2139  0.4749  1
  C  C19  2  0.2410  0.8545  0.8112  1
  C  C20  2  0.2608  0.3659  0.0533  1
  C  C21  2  0.2796  0.6025  0.6615  1
  C  C22  2  0.2844  0.0680  0.9036  1
  C  C23  2  0.3162  0.7862  0.2319  1
  C  C24  2  0.3305  0.3572  0.5038  1
  C  C25  2  0.3603  0.5505  0.5959  1
  C  C26  2  0.3768  0.4780  0.0952  1
  C  C27  2  0.4041  0.6879  0.1831  1
  N  N28  2  0.2198  0.1574  0.9664  1
  N  N29  2  0.3164  0.7928  0.7507  1
  O  O30  2  0.0608  0.3615  0.0650  1
  O  O31  2  0.4661  0.6965  0.6264  1
]