data_[Ba4Fe4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1974]
_cell_length_b [5.6155]
_cell_length_c [7.4232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaFeO4]
_chemical_formula_sum '[Ba4 Fe4 O16]'
_cell_volume [383.3911]
_cell_formula_units_Z [4]
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  4  0.1843  0.2500  0.6573  1
  Fe  Fe1  4  0.0621  0.2500  0.1895  1
  O  O2  8  0.0828  0.0108  0.3214  1
  O  O3  4  0.1024  0.7500  0.8965  1
  O  O4  4  0.1944  0.2500  0.0383  1
]