data_[Na1Fe2O4]
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 [3.0348]
_cell_length_b [5.1228]
_cell_length_c [5.8390]
_cell_angle_alpha [106.2959]
_cell_angle_beta [89.9849]
_cell_angle_gamma [91.4625]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na(FeO2)2]
_chemical_formula_sum '[Na1 Fe2 O4]'
_cell_volume [87.0999]
_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  0.0000  0.5000  0.5000  1.0
  Fe  Fe1  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  1  0.5000  0.5000  0.0000  1.0
  O  O3  2  0.0394  0.2807  0.8145  1.0
  O  O4  2  0.4961  0.7571  0.8143  1.0
]