data_[H8N2Cl6]
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 [Pmmn]
_cell_length_a [5.2610]
_cell_length_b [6.3230]
_cell_length_c [9.1521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [H4NCl3]
_chemical_formula_sum '[H8 N2 Cl6]'
_cell_volume [304.4448]
_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  4  0.0000  0.3626  0.1153  1.0
  H  H1  4  0.1633  0.5000  0.9868  1.0
  N  N2  2  0.0000  0.5000  0.0530  1.0
  Cl  Cl3  4  0.0000  0.1581  0.6546  1.0
  Cl  Cl4  2  0.0000  0.0000  0.1409  1.0
]