# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66634300
_cell_length_b   5.56693471
_cell_length_c   12.89759801
_cell_angle_alpha   101.93107211
_cell_angle_beta   90.37013116
_cell_angle_gamma   91.73178570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   327.62849266
_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  0.49511400  0.48928200  0.00045400  1.0
  Fe  Fe1  1  0.49677900  0.90246700  0.60041600  1.0
  Fe  Fe2  1  0.46337000  0.70856800  0.79817800  1.0
  Fe  Fe3  1  0.51744200  0.08422200  0.39457600  1.0
  Fe  Fe4  1  0.52605100  0.28965300  0.19878100  1.0
  Fe  Fe5  1  0.99453900  0.39665500  0.60026700  1.0
  Fe  Fe6  1  0.00079300  0.80558100  0.19563000  1.0
  Fe  Fe7  1  0.00230200  0.18968100  0.80294300  1.0
  Fe  Fe8  1  0.97846800  0.61929000  0.40469000  1.0
  Fe  Fe9  1  0.01804100  0.01131900  0.00372900  1.0
  O  O10  1  0.81620100  0.05302400  0.13164600  1.0
  O  O11  1  0.81822700  0.85532800  0.33294700  1.0
  O  O12  1  0.81244200  0.24778700  0.94036100  1.0
  O  O13  1  0.80401600  0.64575800  0.54083400  1.0
  O  O14  1  0.69508700  0.15624800  0.53797700  1.0
  O  O15  1  0.69763100  0.35396300  0.33790900  1.0
  O  O16  1  0.69935400  0.55331800  0.14045600  1.0
  O  O17  1  0.68403300  0.95835300  0.73886600  1.0
  O  O18  1  0.29564900  0.64365700  0.65716300  1.0
  O  O19  1  0.31716600  0.04264200  0.25877200  1.0
  O  O20  1  0.29966500  0.44552000  0.86164600  1.0
  O  O21  1  0.31733700  0.24928000  0.06920400  1.0
  O  O22  1  0.30470000  0.84938600  0.46133300  1.0
  O  O23  1  0.19316700  0.94361300  0.86818200  1.0
  O  O24  1  0.19016900  0.74564100  0.05797400  1.0
  O  O25  1  0.17693400  0.15426200  0.66455800  1.0
  F  F26  1  0.79139700  0.46520800  0.74365500  1.0
  F  F27  1  0.69447500  0.75266700  0.93667400  1.0
  F  F28  1  0.19636900  0.34396500  0.45701700  1.0
  F  F29  1  0.20308200  0.54366200  0.26316300  1.0