data_[Fe6O2F10]
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 [P2_1]
_cell_length_a [5.7936]
_cell_length_b [4.7826]
_cell_length_c [8.0869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Fe3OF5]
_chemical_formula_sum '[Fe6 O2 F10]'
_cell_volume [223.9159]
_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  2  0.0624  0.4788  0.3256  1.0
  Fe  Fe1  2  0.2538  0.9923  0.9859  1.0
  Fe  Fe2  2  0.4140  0.5142  0.6669  1.0
  O  O3  2  0.2055  0.8095  0.7538  1.0
  F  F4  2  0.0543  0.7125  0.1160  1.0
  F  F5  2  0.1099  0.2911  0.5505  1.0
  F  F6  2  0.2782  0.2086  0.2281  1.0
  F  F7  2  0.3666  0.6883  0.4163  1.0
  F  F8  2  0.4542  0.3048  0.8990  1.0
]