# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66136000
_cell_length_b   7.59680631
_cell_length_c   9.81417641
_cell_angle_alpha   70.27645324
_cell_angle_beta   86.76822650
_cell_angle_gamma   88.28465039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   326.60277149
_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  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe1  1  0.52686300  0.70463400  0.91225300  1.0
  Fe  Fe2  1  0.52473600  0.90772700  0.30897100  1.0
  Fe  Fe3  1  0.47526400  0.09227300  0.69102900  1.0
  Fe  Fe4  1  0.47313700  0.29536600  0.08774700  1.0
  Fe  Fe5  1  0.01109200  0.19792400  0.40592700  1.0
  Fe  Fe6  1  0.00303100  0.59670900  0.20361200  1.0
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe8  1  0.99696900  0.40329100  0.79638800  1.0
  Fe  Fe9  1  0.98890800  0.80207600  0.59407300  1.0
  O  O10  1  0.18877800  0.02851400  0.57924600  1.0
  O  O11  1  0.17773400  0.23767900  0.96832800  1.0
  O  O12  1  0.18590800  0.43633500  0.37352800  1.0
  O  O13  1  0.31167500  0.73767900  0.47922200  1.0
  O  O14  1  0.30452300  0.14109700  0.27320300  1.0
  O  O15  1  0.30040800  0.33801700  0.67525400  1.0
  O  O16  1  0.30907000  0.93783600  0.88153800  1.0
  O  O17  1  0.30794600  0.53880000  0.07870400  1.0
  O  O18  1  0.69959200  0.66198300  0.32474600  1.0
  O  O19  1  0.69093000  0.06216400  0.11846200  1.0
  O  O20  1  0.69205400  0.46120000  0.92129600  1.0
  O  O21  1  0.69547700  0.85890300  0.72679700  1.0
  O  O22  1  0.68832500  0.26232100  0.52077800  1.0
  O  O23  1  0.82226600  0.76232100  0.03167200  1.0
  O  O24  1  0.81122200  0.97148600  0.42075400  1.0
  O  O25  1  0.81409200  0.56366500  0.62647200  1.0
  F  F26  1  0.20408500  0.84159000  0.18354000  1.0
  F  F27  1  0.19996700  0.64060900  0.78181000  1.0
  F  F28  1  0.80003300  0.35939100  0.21819000  1.0
  F  F29  1  0.79591500  0.15841000  0.81646000  1.0