data_[Ba4Fe4O12]
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 [P2_1/c]
_cell_length_a [5.8237]
_cell_length_b [5.1158]
_cell_length_c [12.9480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaFeO3]
_chemical_formula_sum '[Ba4 Fe4 O12]'
_cell_volume [344.9583]
_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  0.3113  0.7149  0.3452  1.0
  Fe  Fe1  4  0.0242  0.2451  0.4588  1.0
  O  O2  4  0.1358  0.2204  0.3489  1.0
  O  O3  4  0.2070  0.0318  0.6004  1.0
  O  O4  4  0.2349  0.5390  0.5271  1.0
]