data_[Fe7O8]
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 [P31m]
_cell_length_a [8.0945]
_cell_length_b [8.0945]
_cell_length_c [17.7924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Fe7O8]
_chemical_formula_sum '[Fe7 O8]'
_cell_volume [1009.5935]
_cell_formula_units_Z [1]
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  0.2116  0.7844  0.5373  1
  Fe  Fe1  1  0.0000  0.0000  0.4329  1
  O  O2  6  0.1083  0.8087  0.4439  1
  O  O3  2  0.3333  0.6667  0.5898  1
]