data_[Na2Ca6U2H32C6S2O50F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  U  1.3800  1.7500  0.9913
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.6426]
_cell_length_b [9.6482]
_cell_length_c [14.2618]
_cell_angle_alpha [87.9232]
_cell_angle_beta [86.4778]
_cell_angle_gamma [60.2292]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaCa3UH16C3SO25F]
_chemical_formula_sum '[Na2 Ca6 U2 H32 C6 S2 O50 F2]'
_cell_volume [1149.5139]
_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  0.0190  0.0004  0.2875  1
  Ca  Ca1  2  0.1447  0.5733  0.2270  1
  Ca  Ca2  2  0.3378  0.1117  0.2309  1
  Ca  Ca3  2  0.3969  0.6934  0.7811  1
  U  U4  2  0.3003  0.3358  0.8183  1
  H  H5  2  0.0136  0.3737  0.4129  1
  H  H6  2  0.0569  0.7033  0.4331  1
  H  H7  2  0.0735  0.7065  0.0323  1
  H  H8  2  0.1021  0.1927  0.6132  1
  H  H9  2  0.1642  0.5090  0.5479  1
  H  H10  2  0.1782  0.6993  0.6164  1
  H  H11  2  0.1965  0.5223  0.0155  1
  H  H12  2  0.2495  0.0505  0.4333  1
  H  H13  2  0.2854  0.7611  0.5721  1
  H  H14  2  0.3078  0.8878  0.3879  1
  H  H15  2  0.3171  0.6692  0.9961  1
  H  H16  2  0.3212  0.1673  0.5454  1
  H  H17  2  0.3693  0.9946  0.5872  1
  H  H18  2  0.3777  0.6234  0.4125  1
  H  H19  2  0.4706  0.6912  0.9810  1
  H  H20  2  0.4915  0.6780  0.4552  1
  C  C21  2  0.0418  0.6634  0.8095  1
  C  C22  2  0.2332  0.0778  0.8060  1
  C  C23  2  0.3703  0.7356  0.1982  1
  S  S24  2  0.3463  0.3315  0.3887  1
  O  O25  2  0.0152  0.7462  0.3706  1
  O  O26  2  0.0179  0.5404  0.8134  1
  O  O27  2  0.0290  0.0416  0.0093  1
  O  O28  2  0.0695  0.1936  0.1988  1
  O  O29  2  0.0824  0.6227  0.5556  1
  O  O30  2  0.1213  0.2281  0.8162  1
  O  O31  2  0.1730  0.6163  0.0531  1
  O  O32  2  0.1923  0.6243  0.8149  1
  O  O33  2  0.1946  0.3513  0.3522  1
  O  O34  2  0.2025  0.9678  0.7921  1
  O  O35  2  0.2282  0.7669  0.2166  1
  O  O36  2  0.2346  0.7571  0.6336  1
  O  O37  2  0.2557  0.0045  0.3716  1
  O  O38  2  0.2851  0.0876  0.5542  1
  O  O39  2  0.2874  0.3428  0.9486  1
  O  O40  2  0.3113  0.3356  0.6907  1
  O  O41  2  0.3378  0.3322  0.4928  1
  O  O42  2  0.3558  0.0722  0.0494  1
  O  O43  2  0.3704  0.4647  0.3500  1
  O  O44  2  0.3784  0.7113  0.4456  1
  O  O45  2  0.3791  0.0542  0.8102  1
  O  O46  2  0.3814  0.6956  0.9496  1
  O  O47  2  0.4112  0.8470  0.1873  1
  O  O48  2  0.4822  0.1767  0.3521  1
  O  O49  2  0.4917  0.5902  0.1892  1
  F  F50  2  0.3615  0.3290  0.1775  1
]