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 [P4/nmm]
_cell_length_a [5.6083]
_cell_length_b [5.6083]
_cell_length_c [4.0821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [H4NCl]
_chemical_formula_sum '[H8 N2 Cl2]'
_cell_volume [128.3964]
_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  0.0000  0.1529  0.8539  1.0
  N  N1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.0000  0.5000  0.5973  1.0
]