data_[Fe6O6]
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 [P6mm]
_cell_length_a [7.2789]
_cell_length_b [7.2789]
_cell_length_c [16.6052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [FeO]
_chemical_formula_sum '[Fe6 O6]'
_cell_volume [761.9147]
_cell_formula_units_Z [6]
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  6  0.2071  0.4143  0.4993  1
  O  O1  3  0.0000  0.5000  0.4642  1
  O  O2  2  0.3333  0.6667  0.5609  1
  O  O3  1  0.0000  0.0000  0.4899  1
]