# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63942100
_cell_length_b   7.60918456
_cell_length_c   9.74552719
_cell_angle_alpha   70.63665025
_cell_angle_beta   88.49324932
_cell_angle_gamma   89.27774326
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   324.46310176
_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  0.48570000  0.69388800  0.90918700  1.0
  Fe  Fe1  1  0.53339800  0.90547000  0.30843800  1.0
  Fe  Fe2  1  0.49083400  0.11425200  0.70291800  1.0
  Fe  Fe3  1  0.47370100  0.28955500  0.09352300  1.0
  Fe  Fe4  1  0.48688900  0.49718200  0.48811900  1.0
  Fe  Fe5  1  0.99970500  0.40103600  0.80496300  1.0
  Fe  Fe6  1  0.04210600  0.80627300  0.59897400  1.0
  Fe  Fe7  1  0.01467000  0.19595400  0.40961500  1.0
  Fe  Fe8  1  0.99282100  0.59833000  0.19778600  1.0
  Fe  Fe9  1  0.98239000  0.00118200  0.98928100  1.0
  O  O10  1  0.18333200  0.22760000  0.97478300  1.0
  O  O11  1  0.21359800  0.04176100  0.58639900  1.0
  O  O12  1  0.17970300  0.43937700  0.37106400  1.0
  O  O13  1  0.19426200  0.64173800  0.77827900  1.0
  O  O14  1  0.30823100  0.93770200  0.87902600  1.0
  O  O15  1  0.29895900  0.35599900  0.66916400  1.0
  O  O16  1  0.28935800  0.52784700  0.08303400  1.0
  O  O17  1  0.31171300  0.13601800  0.27972700  1.0
  O  O18  1  0.32142100  0.73711100  0.47376800  1.0
  O  O19  1  0.69229800  0.26661000  0.51978100  1.0
  O  O20  1  0.69608200  0.66129700  0.31941700  1.0
  O  O21  1  0.69495100  0.05826800  0.12379400  1.0
  O  O22  1  0.68373600  0.45768300  0.92657000  1.0
  O  O23  1  0.83131600  0.96160400  0.43083700  1.0
  O  O24  1  0.79432200  0.16563400  0.81522800  1.0
  O  O25  1  0.80707900  0.75983800  0.02366800  1.0
  F  F26  1  0.19976200  0.84032900  0.17875100  1.0
  F  F27  1  0.70262400  0.85749600  0.72256800  1.0
  F  F28  1  0.80281000  0.56989100  0.61919800  1.0
  F  F29  1  0.79222700  0.35307500  0.22213800  1.0