data_[U4H72C16Se8N8O44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.6295]
_cell_length_b [12.4242]
_cell_length_c [17.4678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [UH18C4Se2N2O11]
_chemical_formula_sum '[U4 H72 C16 Se8 N8 O44]'
_cell_volume [1655.7794]
_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
[
  U  U0  4  0.1124  0.6504  0.2433  1
  H  H1  4  0.0044  0.2872  0.7712  1
  H  H2  4  0.0055  0.4138  0.7699  1
  H  H3  4  0.0239  0.7148  0.9386  1
  H  H4  4  0.0566  0.9843  0.9371  1
  H  H5  4  0.0794  0.5387  0.0006  1
  H  H6  4  0.0836  0.1510  0.0196  1
  H  H7  4  0.1237  0.1488  0.8797  1
  H  H8  4  0.1351  0.5748  0.8636  1
  H  H9  4  0.1527  0.3978  0.3855  1
  H  H10  4  0.1567  0.8674  0.3925  1
  H  H11  4  0.1836  0.8554  0.5280  1
  H  H12  4  0.1876  0.7667  0.8748  1
  H  H13  4  0.1914  0.4475  0.5141  1
  H  H14  4  0.2156  0.2592  0.9840  1
  H  H15  4  0.2205  0.0331  0.4650  1
  H  H16  4  0.2220  0.9642  0.8651  1
  H  H17  4  0.2271  0.4476  0.9530  1
  H  H18  4  0.2381  0.7440  0.9743  1
  C  C19  4  0.1638  0.7156  0.9247  1
  C  C20  4  0.1928  0.9997  0.9210  1
  C  C21  4  0.2070  0.5300  0.9730  1
  C  C22  4  0.2078  0.1721  0.9920  1
  Se  Se23  4  0.2120  0.9401  0.1853  1
  Se  Se24  4  0.2132  0.3573  0.1862  1
  N  N25  4  0.2181  0.6037  0.9061  1
  N  N26  4  0.2195  0.1180  0.9162  1
  O  O27  4  0.0554  0.3499  0.7438  1
  O  O28  4  0.0828  0.3740  0.1116  1
  O  O29  4  0.0837  0.9196  0.1103  1
  O  O30  4  0.0866  0.6503  0.1404  1
  O  O31  4  0.0894  0.6884  0.6616  1
  O  O32  4  0.0897  0.0161  0.6610  1
  O  O33  4  0.1271  0.0326  0.2464  1
  O  O34  4  0.1306  0.2681  0.2505  1
  O  O35  4  0.1378  0.6521  0.3468  1
  O  O36  4  0.2338  0.8274  0.2391  1
  O  O37  4  0.2376  0.4725  0.2370  1
]