data_[Sr8Fe8O22]
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 [Cmmm]
_cell_length_a [7.8209]
_cell_length_b [11.1350]
_cell_length_c [5.5433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sr4Fe4O11]
_chemical_formula_sum '[Sr8 Fe8 O22]'
_cell_volume [482.7456]
_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
[
  Sr  Sr0  4  0.0000  0.2584  0.0000  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5000  1.0
  Sr  Sr2  2  0.0000  0.5000  0.5000  1.0
  Fe  Fe3  4  0.2456  0.5000  0.0000  1.0
  Fe  Fe4  4  0.2500  0.2500  0.5000  1.0
  O  O5  16  0.2202  0.1212  0.2401  1.0
  O  O6  4  0.0000  0.2741  0.5000  1.0
  O  O7  2  0.0000  0.5000  0.0000  1.0
]