data_[Fe12O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [2.9427]
_cell_length_b [9.7664]
_cell_length_c [9.9903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Fe3O4]
_chemical_formula_sum '[Fe12 O16]'
_cell_volume [287.1117]
_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
[
  Fe  Fe0  4  0.0000  0.1216  0.7602  1.0
  Fe  Fe1  4  0.0000  0.3600  0.5761  1.0
  Fe  Fe2  4  0.0000  0.3767  0.9267  1.0
  O  O3  4  0.0000  0.0132  0.9903  1.0
  O  O4  4  0.0000  0.2691  0.3900  1.0
  O  O5  4  0.0000  0.2712  0.1139  1.0
  O  O6  4  0.0000  0.4678  0.7466  1.0
]