# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65982900
_cell_length_b   7.62048100
_cell_length_c   10.14587355
_cell_angle_alpha   64.96992206
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   326.44583825
_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  0.48106200  0.80842000  0.78701500  1.0
  Fe  Fe1  1  0.53242500  0.41265000  0.39472700  1.0
  Fe  Fe2  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.46757500  0.58735000  0.60527300  1.0
  Fe  Fe4  1  0.51893800  0.19158000  0.21298500  1.0
  Fe  Fe5  1  0.96757500  0.41265000  0.89472700  1.0
  Fe  Fe6  1  0.03242500  0.58735000  0.10527300  1.0
  Fe  Fe7  1  0.01893800  0.80842000  0.28701500  1.0
  Fe  Fe8  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe9  1  0.98106200  0.19158000  0.71298500  1.0
  O  O10  1  0.17096000  0.41007200  0.73142600  1.0
  O  O11  1  0.21008700  0.81547700  0.11340200  1.0
  O  O12  1  0.19184200  0.01633100  0.32365200  1.0
  O  O13  1  0.18743500  0.61485100  0.92201200  1.0
  O  O14  1  0.30815800  0.01633100  0.82365200  1.0
  O  O15  1  0.28991300  0.81547700  0.61340200  1.0
  O  O16  1  0.31256500  0.61485100  0.42201200  1.0
  O  O17  1  0.32904000  0.41007200  0.23142600  1.0
  O  O18  1  0.69184200  0.98366900  0.17634800  1.0
  O  O19  1  0.71008700  0.18452300  0.38659800  1.0
  O  O20  1  0.68743500  0.38514900  0.57798800  1.0
  O  O21  1  0.67096000  0.58992800  0.76857400  1.0
  O  O22  1  0.81256500  0.38514900  0.07798800  1.0
  O  O23  1  0.82904000  0.58992800  0.26857400  1.0
  O  O24  1  0.78991300  0.18452300  0.88659800  1.0
  O  O25  1  0.80815800  0.98366900  0.67634800  1.0
  F  F26  1  0.20200100  0.21950500  0.52648800  1.0
  F  F27  1  0.29799900  0.21950500  0.02648800  1.0
  F  F28  1  0.70200100  0.78049500  0.97351200  1.0
  F  F29  1  0.79799900  0.78049500  0.47351200  1.0