data_[Sr2Fe2O6]
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 [P2_1/m]
_cell_length_a [6.0938]
_cell_length_b [3.9028]
_cell_length_c [6.9445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrFeO3]
_chemical_formula_sum '[Sr2 Fe2 O6]'
_cell_volume [154.6205]
_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  2  0.0029  0.7500  0.7542  1.0
  Fe  Fe1  2  0.4953  0.7500  0.3243  1.0
  O  O2  2  0.2006  0.7500  0.1395  1.0
  O  O3  2  0.2045  0.2500  0.6588  1.0
  O  O4  2  0.4792  0.2500  0.3756  1.0
]