# generated using pymatgen
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95699700
_cell_length_b   4.53037600
_cell_length_c   13.58026000
_cell_angle_alpha   90.00000000
_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   181.92534895
_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  0.72886600  0.99912900  1.0
  Fe  Fe1  1  0.00000000  0.77506200  0.34389600  1.0
  Fe  Fe2  1  0.00000000  0.78244800  0.65977400  1.0
  Fe  Fe3  1  0.50000000  0.21755200  0.15977400  1.0
  Fe  Fe4  1  0.50000000  0.27113400  0.49912900  1.0
  Fe  Fe5  1  0.50000000  0.22493800  0.84389600  1.0
  O  O6  1  0.50000000  0.94120500  0.27346800  1.0
  O  O7  1  0.50000000  0.98253500  0.59456900  1.0
  O  O8  1  0.50000000  0.90581500  0.93396600  1.0
  O  O9  1  0.00000000  0.01746500  0.09456900  1.0
  O  O10  1  0.00000000  0.05879500  0.77346800  1.0
  O  O11  1  0.00000000  0.09418500  0.43396600  1.0
  O  O12  1  0.00000000  0.45739600  0.56089200  1.0
  O  O13  1  0.00000000  0.43334900  0.90229600  1.0
  O  O14  1  0.50000000  0.54260400  0.06089200  1.0
  O  O15  1  0.50000000  0.56665100  0.40229600  1.0
  F  F16  1  0.00000000  0.44416400  0.23201000  1.0
  F  F17  1  0.50000000  0.55583600  0.73201000  1.0