data_[Na2B14H28C4N4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  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 [7.5812]
_cell_length_b [8.4915]
_cell_length_c [11.6423]
_cell_angle_alpha [96.6963]
_cell_angle_beta [94.5618]
_cell_angle_gamma [102.9125]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaB7H14C2(NO7)2]
_chemical_formula_sum '[Na2 B14 H28 C4 N4 O28]'
_cell_volume [721.2203]
_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
[
  Na  Na0  2  0.3835  0.1960  0.9944  1
  B  B1  2  0.0143  0.2088  0.1089  1
  B  B2  2  0.1130  0.7914  0.2231  1
  B  B3  2  0.2163  0.6417  0.9390  1
  B  B4  2  0.2936  0.8717  0.8203  1
  B  B5  2  0.3186  0.6174  0.2500  1
  B  B6  2  0.3463  0.8675  0.6085  1
  B  B7  2  0.4475  0.9160  0.2435  1
  H  H8  2  0.0135  0.1847  0.3594  1
  H  H9  2  0.0335  0.3895  0.5503  1
  H  H10  2  0.0813  0.0860  0.8055  1
  H  H11  2  0.1456  0.1387  0.5509  1
  H  H12  2  0.1540  0.4456  0.0125  1
  H  H13  2  0.1893  0.0955  0.3368  1
  H  H14  2  0.2014  0.3746  0.7305  1
  H  H15  2  0.2163  0.2945  0.3355  1
  H  H16  2  0.2373  0.5714  0.7005  1
  H  H17  2  0.2385  0.4944  0.5006  1
  H  H18  2  0.2815  0.3629  0.1980  1
  H  H19  2  0.3623  0.2376  0.5165  1
  H  H20  2  0.3728  0.8697  0.4440  1
  H  H21  2  0.4035  0.4726  0.6911  1
  C  C22  2  0.1811  0.4000  0.5531  1
  C  C23  2  0.2169  0.2360  0.5057  1
  N  N24  2  0.1536  0.1984  0.3783  1
  N  N25  2  0.2606  0.4566  0.6762  1
  O  O26  2  0.0459  0.6728  0.9510  1
  O  O27  2  0.0656  0.1925  0.7822  1
  O  O28  2  0.1212  0.9122  0.8570  1
  O  O29  2  0.1391  0.6372  0.2377  1
  O  O30  2  0.1933  0.2265  0.1326  1
  O  O31  2  0.2443  0.8004  0.6914  1
  O  O32  2  0.2525  0.9224  0.2217  1
  O  O33  2  0.2622  0.5118  0.9828  1
  O  O34  2  0.2939  0.8012  0.4931  1
  O  O35  2  0.3386  0.7387  0.8815  1
  O  O36  2  0.3517  0.4677  0.2681  1
  O  O37  2  0.4413  0.0127  0.8405  1
  O  O38  2  0.4624  0.7451  0.2470  1
  O  O39  2  0.4942  0.9956  0.6354  1
]