data_[Ba3Sr1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-3m1]
_cell_length_a [6.3790]
_cell_length_b [6.3790]
_cell_length_c [7.1414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Sr(FeO3)2]
_chemical_formula_sum '[Ba3 Sr1 Fe2 O6]'
_cell_volume [251.6603]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  2  0.3333  0.6667  0.6868  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Sr  Sr2  1  0.0000  0.0000  0.5000  1
  Fe  Fe3  2  0.3333  0.6667  0.2320  1
  O  O4  6  0.1672  0.3343  0.2754  1
]