data_[Fe3O3]
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 [Pm]
_cell_length_a [16.9923]
_cell_length_b [3.8121]
_cell_length_c [16.9923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [FeO]
_chemical_formula_sum '[Fe3 O3]'
_cell_volume [953.2348]
_cell_formula_units_Z [3]
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  1  0.4816  0.0000  0.3754  1
  Fe  Fe1  1  0.4997  0.5000  0.4999  1
  Fe  Fe2  1  0.5182  0.0000  0.6245  1
  O  O3  1  0.4799  0.5000  0.3740  1
  O  O4  1  0.5041  0.0000  0.5016  1
  O  O5  1  0.5165  0.5000  0.6246  1
]