data_[Na4H32C4N20O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9027]
_cell_length_b [10.1012]
_cell_length_c [12.4248]
_cell_angle_alpha [87.4919]
_cell_angle_beta [77.7044]
_cell_angle_gamma [78.7683]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaH8CN5O3]
_chemical_formula_sum '[Na4 H32 C4 N20 O12]'
_cell_volume [709.9613]
_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
[
  Na  Na0  2  0.2081  0.1003  0.0082  1
  Na  Na1  2  0.2815  0.3996  0.5020  1
  H  H2  2  0.0040  0.9234  0.1846  1
  H  H3  2  0.0662  0.1267  0.6247  1
  H  H4  2  0.0967  0.7888  0.7827  1
  H  H5  2  0.1003  0.5261  0.1330  1
  H  H6  2  0.1432  0.5485  0.3159  1
  H  H7  2  0.1907  0.8198  0.1021  1
  H  H8  2  0.2004  0.6800  0.8617  1
  H  H9  2  0.2164  0.6713  0.6123  1
  H  H10  2  0.2471  0.6410  0.3833  1
  H  H11  2  0.2663  0.9821  0.6311  1
  H  H12  2  0.2874  0.3829  0.1616  1
  H  H13  2  0.3354  0.5618  0.6875  1
  H  H14  2  0.3671  0.8714  0.8719  1
  H  H15  2  0.3945  0.2842  0.7107  1
  H  H16  2  0.4368  0.8278  0.3682  1
  H  H17  2  0.4659  0.0345  0.1893  1
  C  C18  2  0.0668  0.0438  0.3644  1
  C  C19  2  0.4355  0.5485  0.1352  1
  N  N20  2  0.0213  0.1791  0.3761  1
  N  N21  2  0.0928  0.0309  0.6554  1
  N  N22  2  0.2172  0.4071  0.8847  1
  N  N23  2  0.2287  0.2098  0.3891  1
  N  N24  2  0.2444  0.4854  0.1670  1
  N  N25  2  0.2932  0.9916  0.3682  1
  N  N26  2  0.3437  0.5062  0.8527  1
  N  N27  2  0.3558  0.2995  0.9134  1
  N  N28  2  0.3882  0.0991  0.3850  1
  N  N29  2  0.4223  0.6761  0.0979  1
  O  O30  2  0.0708  0.9057  0.1056  1
  O  O31  2  0.1174  0.5902  0.3896  1
  O  O32  2  0.1301  0.7785  0.8569  1
  O  O33  2  0.3332  0.5849  0.6101  1
  O  O34  2  0.4828  0.9263  0.8828  1
  O  O35  2  0.4860  0.2712  0.6354  1
]