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 [P2_1/c]
_cell_length_a [5.2199]
_cell_length_b [9.4594]
_cell_length_c [5.9872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Fe3O4]
_chemical_formula_sum '[Fe12 O16]'
_cell_volume [283.1600]
_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  0.2476  0.5929  0.5158  1
  Fe  Fe1  4  0.2530  0.5812  0.0095  1
  Fe  Fe2  4  0.2555  0.2465  0.7617  1
  O  O3  4  0.0128  0.7449  0.0508  1
  O  O4  4  0.1545  0.0373  0.7370  1
  O  O5  4  0.3488  0.0420  0.2823  1
  O  O6  4  0.4659  0.7475  0.9255  1
]