data_[H8N2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.1093]
_cell_length_b [5.1093]
_cell_length_c [8.1176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [H4NCl]
_chemical_formula_sum '[H8 N2 Cl2]'
_cell_volume [183.5202]
_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  6  0.1097  0.5548  0.4161  1
  H  H1  2  0.3333  0.6667  0.2446  1
  N  N2  2  0.3333  0.6667  0.3736  1
  Cl  Cl3  2  0.3333  0.6667  0.9915  1
]