data_[Sr16Fe16O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.9580]
_cell_length_b [8.1327]
_cell_length_c [15.8596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sr2Fe2O5]
_chemical_formula_sum '[Sr16 Fe16 O40]'
_cell_volume [1026.4272]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  16  0.0000  0.2323  0.3572  1.0
  Fe  Fe1  8  0.1811  0.0000  0.0000  1.0
  Fe  Fe2  8  0.2500  0.0000  0.2500  1.0
  O  O3  16  0.2227  0.0000  0.3906  1.0
  O  O4  8  0.0000  0.0000  0.2404  1.0
  O  O5  8  0.0000  0.1646  0.0000  1.0
  O  O6  8  0.2500  0.2500  0.2500  1.0
]