# generated using pymatgen
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00234900
_cell_length_b   6.58134400
_cell_length_c   10.38721164
_cell_angle_alpha   71.58125931
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O5F
_chemical_formula_sum   'Fe6 O10 F2'
_cell_volume   194.73182472
_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  0.00000000  0.99218500  0.01725200  1.0
  Fe  Fe1  1  0.50000000  0.50174400  0.99816200  1.0
  Fe  Fe2  1  0.00000000  0.34786700  0.32710500  1.0
  Fe  Fe3  1  0.50000000  0.17349300  0.65318900  1.0
  Fe  Fe4  1  0.50000000  0.81320600  0.33847800  1.0
  Fe  Fe5  1  0.00000000  0.66742000  0.66633000  1.0
  O  O6  1  0.00000000  0.30673900  0.00077000  1.0
  O  O7  1  0.00000000  0.69374300  0.00052800  1.0
  O  O8  1  0.50000000  0.39713100  0.20346300  1.0
  O  O9  1  0.50000000  0.27020300  0.45206100  1.0
  O  O10  1  0.50000000  0.93437800  0.13897400  1.0
  O  O11  1  0.00000000  0.63757300  0.33760300  1.0
  O  O12  1  0.00000000  0.35561600  0.66272200  1.0
  O  O13  1  0.50000000  0.73171500  0.53935200  1.0
  O  O14  1  0.50000000  0.60410500  0.79155800  1.0
  O  O15  1  0.00000000  0.98148700  0.66295000  1.0
  F  F16  1  0.00000000  0.02738100  0.33660000  1.0
  F  F17  1  0.50000000  0.06401500  0.87290100  1.0