data_[Na6U3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  U  1.3800  1.7500  0.9913
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.9605]
_cell_length_b [8.7606]
_cell_length_c [19.8106]
_cell_angle_alpha [85.4191]
_cell_angle_beta [89.9237]
_cell_angle_gamma [63.0353]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2UI6]
_chemical_formula_sum '[Na6 U3 I18]'
_cell_volume [1226.4948]
_cell_formula_units_Z [3]
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  1  0.0841  0.8292  0.2272  1
  Na  Na1  1  0.2435  0.5098  0.4393  1
  Na  Na2  1  0.3332  0.3296  0.1641  1
  Na  Na3  1  0.4243  0.1547  0.8960  1
  Na  Na4  1  0.7545  0.4908  0.5611  1
  Na  Na5  1  0.9124  0.1751  0.7730  1
  U  U6  1  0.3333  0.3332  0.6668  1
  U  U7  1  0.6718  0.6673  0.3326  1
  U  U8  1  0.9973  0.9973  0.0003  1
  I  I9  1  0.0364  0.6518  0.5860  1
  I  I10  1  0.1055  0.4454  0.7924  1
  I  I11  1  0.1254  0.1297  0.6326  1
  I  I12  1  0.2025  0.2066  0.0327  1
  I  I13  1  0.2293  0.8897  0.8739  1
  I  I14  1  0.2975  0.6841  0.0828  1
  I  I15  1  0.3648  0.9885  0.2539  1
  I  I16  1  0.4389  0.7758  0.4593  1
  I  I17  1  0.4544  0.4609  0.2988  1
  I  I18  1  0.5410  0.5371  0.7006  1
  I  I19  1  0.5613  0.2214  0.5407  1
  I  I20  1  0.6302  0.0148  0.7469  1
  I  I21  1  0.7028  0.3187  0.9190  1
  I  I22  1  0.7724  0.1171  0.1275  1
  I  I23  1  0.7907  0.8008  0.9675  1
  I  I24  1  0.8784  0.8732  0.3679  1
  I  I25  1  0.8947  0.5580  0.2054  1
  I  I26  1  0.9658  0.3459  0.4151  1
]