data_[Na1U1Fe2O6]
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
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4482]
_cell_length_b [5.4569]
_cell_length_c [5.7829]
_cell_angle_alpha [116.6273]
_cell_angle_beta [91.2979]
_cell_angle_gamma [119.5853]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaU(FeO3)2]
_chemical_formula_sum '[Na1 U1 Fe2 O6]'
_cell_volume [126.9049]
_cell_formula_units_Z [1]
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  0.1981  0.4014  0.5990  1
  U  U1  1  0.6795  0.3601  0.0388  1
  Fe  Fe2  1  0.4770  0.9477  0.4263  1
  Fe  Fe3  1  0.9886  0.9783  0.9694  1
  O  O4  1  0.0797  0.4604  0.2263  1
  O  O5  1  0.2686  0.1258  0.7692  1
  O  O6  1  0.3887  0.1440  0.2314  1
  O  O7  1  0.6417  0.9180  0.7596  1
  O  O8  1  0.7610  0.8371  0.2241  1
  O  O9  1  0.8556  0.5043  0.7711  1
]