data_[Na8Fe2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8286]
_cell_length_b [5.8291]
_cell_length_c [8.3723]
_cell_angle_alpha [87.8334]
_cell_angle_beta [71.8209]
_cell_angle_gamma [69.2193]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na4FeO4]
_chemical_formula_sum '[Na8 Fe2 O8]'
_cell_volume [251.8206]
_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  0.0494  0.7244  0.4323  1.0
  Na  Na1  2  0.2082  0.7437  0.0190  1.0
  Na  Na2  2  0.2404  0.2370  0.1693  1.0
  Na  Na3  2  0.4140  0.7838  0.6285  1.0
  Fe  Fe4  2  0.4060  0.2797  0.7499  1.0
  O  O5  2  0.1714  0.4985  0.6623  1.0
  O  O6  2  0.2380  0.1075  0.8984  1.0
  O  O7  2  0.3128  0.9718  0.3833  1.0
  O  O8  2  0.4366  0.5254  0.1985  1.0
]