data_[H2C2N2]
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 [Cm]
_cell_length_a [4.1262]
_cell_length_b [2.3824]
_cell_length_c [4.2370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HCN]
_chemical_formula_sum '[H2 C2 N2]'
_cell_volume [41.5769]
_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  2  0.3748  0.0000  0.2282  1
  C  C1  2  0.3913  0.0000  0.4937  1
  N  N2  2  0.2320  0.5000  0.6134  1
]