# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62578900
_cell_length_b   7.60501000
_cell_length_c   9.72530683
_cell_angle_alpha   70.28658001
_cell_angle_beta   86.92750594
_cell_angle_gamma   87.88087921
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   321.54866561
_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  0.47724300  0.69652500  0.89118300  1.0
  Fe  Fe1  1  0.50465800  0.89891800  0.30331200  1.0
  Fe  Fe2  1  0.52676300  0.10634500  0.71079100  1.0
  Fe  Fe3  1  0.48671800  0.29825400  0.09365200  1.0
  Fe  Fe4  1  0.47932800  0.49397900  0.49212900  1.0
  Fe  Fe5  1  0.01097800  0.39620000  0.80444300  1.0
  Fe  Fe6  1  0.99251600  0.79652200  0.59698200  1.0
  Fe  Fe7  1  0.99786200  0.19849600  0.40102500  1.0
  Fe  Fe8  1  0.02250000  0.60993700  0.20835200  1.0
  Fe  Fe9  1  0.01197700  0.00766600  0.00293500  1.0
  O  O10  1  0.20238300  0.24092400  0.97735000  1.0
  O  O11  1  0.19049200  0.43168100  0.37746300  1.0
  O  O12  1  0.17563800  0.63718000  0.76925900  1.0
  O  O13  1  0.19234000  0.84764800  0.17454000  1.0
  O  O14  1  0.30773000  0.93604000  0.87866500  1.0
  O  O15  1  0.30552000  0.33730900  0.67618200  1.0
  O  O16  1  0.30685400  0.53977000  0.07677500  1.0
  O  O17  1  0.30939600  0.14228800  0.27827300  1.0
  O  O18  1  0.29766200  0.73550400  0.47576000  1.0
  O  O19  1  0.69183000  0.85932800  0.72276100  1.0
  O  O20  1  0.69474200  0.25975200  0.52301000  1.0
  O  O21  1  0.68923800  0.65900000  0.32156300  1.0
  O  O22  1  0.70017600  0.06371800  0.12543500  1.0
  O  O23  1  0.68935100  0.46359600  0.91928000  1.0
  O  O24  1  0.81429800  0.96144200  0.42820300  1.0
  O  O25  1  0.81970500  0.16228300  0.82883700  1.0
  F  F26  1  0.20015100  0.03711500  0.58278900  1.0
  F  F27  1  0.79028500  0.55620400  0.61685800  1.0
  F  F28  1  0.80490800  0.75975900  0.02375200  1.0
  F  F29  1  0.80675900  0.36661500  0.21843700  1.0