data_[H16C8N8O8F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.1301]
_cell_length_b [9.1140]
_cell_length_c [5.4616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [H2CNOF]
_chemical_formula_sum '[H16 C8 N8 O8 F8]'
_cell_volume [404.6955]
_cell_formula_units_Z [8]
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  8  0.0011  0.3477  0.0000  1
  H  H1  8  0.1643  0.2157  0.5000  1
  C  C2  8  0.2270  0.4309  0.5000  1
  N  N3  8  0.1220  0.3220  0.5000  1
  O  O4  8  0.2014  0.4360  0.0000  1
  F  F5  8  0.1127  0.1146  0.0000  1
]