data_[H16C2N4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0569]
_cell_length_b [5.3478]
_cell_length_c [5.0440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H8CN2]
_chemical_formula_sum '[H16 C2 N4]'
_cell_volume [190.3531]
_cell_formula_units_Z [2]
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  0.1593  0.1614  0.3297  1
  H  H1  4  0.1059  0.0000  0.8485  1
  H  H2  4  0.1618  0.5000  0.8142  1
  C  C3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.2358  0.0000  0.3280  1
]