data_[Fe6O5F7]
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 [P1]
_cell_length_a [4.7782]
_cell_length_b [5.6961]
_cell_length_c [7.8253]
_cell_angle_alpha [85.4584]
_cell_angle_beta [88.2720]
_cell_angle_gamma [87.8929]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Fe6O5F7]
_chemical_formula_sum '[Fe6 O5 F7]'
_cell_volume [212.0893]
_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  1  0.0189  0.6601  0.3311  1.0
  Fe  Fe1  1  0.4700  0.1871  0.3332  1.0
  Fe  Fe2  1  0.5194  0.4766  0.0003  1.0
  Fe  Fe3  1  0.5263  0.8515  0.6743  1.0
  Fe  Fe4  1  0.9641  0.0058  0.9957  1.0
  Fe  Fe5  1  0.9886  0.3258  0.6672  1.0
  O  O6  1  0.3047  0.1260  0.5649  1.0
  O  O7  1  0.3186  0.4673  0.2201  1.0
  O  O8  1  0.6951  0.5444  0.7691  1.0
  O  O9  1  0.6964  0.1941  0.1108  1.0
  O  O10  1  0.8067  0.0431  0.7716  1.0
  F  F11  1  0.1960  0.2931  0.8997  1.0
  F  F12  1  0.1965  0.9731  0.2189  1.0
  F  F13  1  0.1984  0.6251  0.5763  1.0
  F  F14  1  0.2971  0.8005  0.9055  1.0
  F  F15  1  0.6974  0.8647  0.4311  1.0
  F  F16  1  0.8011  0.3598  0.4385  1.0
  F  F17  1  0.8045  0.7018  0.0918  1.0
]