# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66147900
_cell_length_b   7.60707122
_cell_length_c   9.78461721
_cell_angle_alpha   70.21895897
_cell_angle_beta   88.51444751
_cell_angle_gamma   88.98942883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   326.36688378
_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  1  0.51360900  0.68800000  0.89849100  1.0
  Fe  Fe1  1  0.47560400  0.89769300  0.29597100  1.0
  Fe  Fe2  1  0.52136800  0.10552200  0.69348600  1.0
  Fe  Fe3  1  0.47459300  0.29538100  0.09525000  1.0
  Fe  Fe4  1  0.48719500  0.50145600  0.49209200  1.0
  Fe  Fe5  1  0.01273100  0.39059200  0.80590300  1.0
  Fe  Fe6  1  0.03009800  0.80375100  0.61254700  1.0
  Fe  Fe7  1  0.02621500  0.20844200  0.40897400  1.0
  Fe  Fe8  1  0.00006900  0.60905700  0.19497600  1.0
  Fe  Fe9  1  0.97079600  0.00034000  0.00355200  1.0
  O  O10  1  0.18171800  0.22073000  0.98218500  1.0
  O  O11  1  0.20889100  0.04246700  0.58010800  1.0
  O  O12  1  0.18823900  0.45189100  0.36860900  1.0
  O  O13  1  0.19994200  0.62740800  0.78313600  1.0
  O  O14  1  0.17493800  0.85027900  0.16949400  1.0
  O  O15  1  0.31538700  0.34383100  0.67398000  1.0
  O  O16  1  0.30433100  0.53240500  0.07717500  1.0
  O  O17  1  0.30573700  0.14038500  0.28010200  1.0
  O  O18  1  0.30830700  0.74079300  0.47769400  1.0
  O  O19  1  0.70058000  0.85936800  0.72312300  1.0
  O  O20  1  0.70522000  0.27353900  0.51681800  1.0
  O  O21  1  0.68345000  0.66573800  0.32025400  1.0
  O  O22  1  0.67512300  0.06259500  0.12861600  1.0
  O  O23  1  0.69500700  0.44669700  0.92669700  1.0
  O  O24  1  0.80945100  0.15459700  0.82492300  1.0
  O  O25  1  0.80303300  0.76477900  0.01926500  1.0
  F  F26  1  0.30473600  0.93501900  0.87741300  1.0
  F  F27  1  0.81078800  0.56304600  0.62130200  1.0
  F  F28  1  0.81250200  0.96350200  0.42523500  1.0
  F  F29  1  0.80034100  0.36069500  0.22262600  1.0