data_[Na8Fe4O12]
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 [Cmc2_1]
_cell_length_a [11.3945]
_cell_length_b [6.0595]
_cell_length_c [5.1171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2FeO3]
_chemical_formula_sum '[Na8 Fe4 O12]'
_cell_volume [353.3141]
_cell_formula_units_Z [4]
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  8  0.1657  0.3234  0.0164  1.0
  Fe  Fe1  4  0.0000  0.1737  0.5453  1.0
  O  O2  8  0.1406  0.2921  0.4892  1.0
  O  O3  4  0.0000  0.1175  0.9016  1.0
]