data_[H16N4Cl4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.3026]
_cell_length_b [7.1394]
_cell_length_c [7.4522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [H4NClO4]
_chemical_formula_sum '[H16 N4 Cl4 O16]'
_cell_volume [335.3249]
_cell_formula_units_Z [4]
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  0.1178  0.3912  0.0212  1
  H  H1  4  0.1392  0.5315  0.5810  1
  H  H2  4  0.1499  0.5008  0.2178  1
  H  H3  4  0.2474  0.7145  0.6890  1
  N  N4  4  0.2208  0.4112  0.1274  1
  Cl  Cl5  4  0.2411  0.0899  0.6254  1
  O  O6  4  0.0642  0.9621  0.6631  1
  O  O7  4  0.0708  0.0253  0.0930  1
  O  O8  4  0.1926  0.2026  0.4697  1
  O  O9  4  0.2216  0.7924  0.2805  1
]