data_[Fe12O10F14]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6137]
_cell_length_b [6.8794]
_cell_length_c [9.3264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Fe6O5F7]
_chemical_formula_sum '[Fe12 O10 F14]'
_cell_volume [424.3359]
_cell_formula_units_Z [2]
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  0.0121  0.4958  0.1551  1.0
  Fe  Fe1  4  0.0308  0.9896  0.6595  1.0
  Fe  Fe2  2  0.0000  0.0012  0.0000  1.0
  Fe  Fe3  2  0.0000  0.5277  0.5000  1.0
  O  O4  4  0.1812  0.5003  0.3350  1.0
  O  O5  4  0.1951  0.4967  0.9953  1.0
  O  O6  2  0.0000  0.8109  0.5000  1.0
  F  F7  4  0.0039  0.7971  0.8195  1.0
  F  F8  4  0.0039  0.1975  0.8147  1.0
  F  F9  4  0.2110  0.5032  0.6657  1.0
  F  F10  2  0.0000  0.1999  0.5000  1.0
]