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 [Cm]
_cell_length_a [12.2019]
_cell_length_b [3.5308]
_cell_length_c [8.5329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.8266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na4FeO4]
_chemical_formula_sum '[Na8 Fe2 O8]'
_cell_volume [278.1729]
_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  0.0468  0.5000  0.4644  1.0
  Na  Na1  2  0.2920  0.5000  0.2038  1.0
  Na  Na2  2  0.3616  0.0000  0.6063  1.0
  Na  Na3  2  0.3736  0.5000  0.9287  1.0
  Fe  Fe4  2  0.1384  0.0000  0.8124  1.0
  O  O5  2  0.0982  0.5000  0.8766  1.0
  O  O6  2  0.2160  0.0000  0.6782  1.0
  O  O7  2  0.3312  0.0000  0.0764  1.0
  O  O8  2  0.4489  0.5000  0.5498  1.0
]