data_[H14N4Cl4]
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 [P2_1]
_cell_length_a [4.7306]
_cell_length_b [9.8636]
_cell_length_c [6.2357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [H7(NCl)2]
_chemical_formula_sum '[H14 N4 Cl4]'
_cell_volume [288.1158]
_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  0.2670  0.3740  0.9129  1
  H  H1  2  0.2681  0.1288  0.3844  1
  H  H2  2  0.3076  0.9722  0.4893  1
  H  H3  2  0.3195  0.5209  0.0396  1
  H  H4  2  0.4182  0.5835  0.4775  1
  H  H5  2  0.4211  0.9077  0.9452  1
  H  H6  2  0.4804  0.0107  0.2661  1
  N  N7  2  0.4092  0.0488  0.4164  1
  N  N8  2  0.4135  0.4497  0.9527  1
  Cl  Cl9  2  0.0479  0.8043  0.6322  1
  Cl  Cl10  2  0.0772  0.6995  0.2474  1
]