data_[Ba2Fe24O38]
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 [P6_3mc]
_cell_length_a [6.0108]
_cell_length_b [6.0108]
_cell_length_c [23.5489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [BaFe12O19]
_chemical_formula_sum '[Ba2 Fe24 O38]'
_cell_volume [736.8148]
_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
[
  Ba  Ba0  2  0.3333  0.6667  0.7509  1
  Fe  Fe1  6  0.1675  0.3349  0.8908  1
  Fe  Fe2  6  0.1687  0.3375  0.6084  1
  Fe  Fe3  2  0.0000  0.0000  0.2432  1
  Fe  Fe4  2  0.0000  0.0000  0.4998  1
  Fe  Fe5  2  0.3333  0.6667  0.0271  1
  Fe  Fe6  2  0.3333  0.6667  0.1908  1
  Fe  Fe7  2  0.3333  0.6667  0.3092  1
  Fe  Fe8  2  0.3333  0.6667  0.4721  1
  O  O9  6  0.0055  0.5027  0.8501  1
  O  O10  6  0.0067  0.5034  0.6496  1
  O  O11  6  0.1553  0.3106  0.0527  1
  O  O12  6  0.1554  0.3107  0.4475  1
  O  O13  6  0.1824  0.3648  0.2494  1
  O  O14  2  0.0000  0.0000  0.1517  1
  O  O15  2  0.0000  0.0000  0.3487  1
  O  O16  2  0.3333  0.6667  0.5553  1
  O  O17  2  0.3333  0.6667  0.9444  1
]