# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63453055
_cell_length_b   7.58441590
_cell_length_c   9.71754686
_cell_angle_alpha   109.55183263
_cell_angle_beta   91.54359128
_cell_angle_gamma   88.97360345
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   321.74718389
_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  0.48755800  0.31444700  0.90305200  1.0
  Fe  Fe1  1  0.47555800  0.09301100  0.31281700  1.0
  Fe  Fe2  1  0.48017400  0.89049700  0.69287500  1.0
  Fe  Fe3  1  0.53696600  0.70992600  0.09294800  1.0
  Fe  Fe4  1  0.51309000  0.49864200  0.48957800  1.0
  Fe  Fe5  1  0.98974700  0.60378500  0.80474200  1.0
  Fe  Fe6  1  0.98136300  0.18964600  0.60812000  1.0
  Fe  Fe7  1  0.98428100  0.80065500  0.40740400  1.0
  Fe  Fe8  1  0.00492700  0.40484200  0.19334300  1.0
  Fe  Fe9  1  0.03897800  0.99551000  0.00035400  1.0
  O  O10  1  0.79766700  0.76636300  0.98535500  1.0
  O  O11  1  0.78578800  0.95835400  0.58119900  1.0
  O  O12  1  0.81954900  0.56201200  0.36899100  1.0
  O  O13  1  0.80817000  0.36042000  0.77810900  1.0
  O  O14  1  0.69163600  0.65015100  0.66840100  1.0
  O  O15  1  0.70510900  0.47395100  0.07884700  1.0
  O  O16  1  0.69326500  0.85954200  0.27672700  1.0
  O  O17  1  0.68505400  0.26156000  0.47870500  1.0
  O  O18  1  0.29742800  0.13981200  0.72379900  1.0
  O  O19  1  0.30030700  0.72700000  0.51098600  1.0
  O  O20  1  0.30875400  0.33675300  0.31958300  1.0
  O  O21  1  0.32386400  0.93419800  0.12778800  1.0
  O  O22  1  0.31555100  0.55598100  0.92791200  1.0
  O  O23  1  0.17371400  0.03567200  0.42920800  1.0
  O  O24  1  0.18695100  0.83634900  0.81951700  1.0
  O  O25  1  0.19690900  0.24033000  0.02391100  1.0
  F  F26  1  0.80766000  0.15888800  0.17829700  1.0
  F  F27  1  0.69832800  0.06013800  0.88309200  1.0
  F  F28  1  0.19356100  0.43502800  0.61979300  1.0
  F  F29  1  0.21809100  0.64653700  0.21454500  1.0