# generated using pymatgen
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54545894
_cell_length_b   5.54545894
_cell_length_c   7.37952375
_cell_angle_alpha   70.22991696
_cell_angle_beta   70.22991696
_cell_angle_gamma   71.13525788
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O5F
_chemical_formula_sum   'Fe6 O10 F2'
_cell_volume   195.29931346
_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  0.82390100  0.82390100  0.65451800  1.0
  Fe  Fe1  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe2  1  0.81905500  0.81905500  0.17225000  1.0
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe4  1  0.17609900  0.17609900  0.34548200  1.0
  Fe  Fe5  1  0.18094500  0.18094500  0.82775000  1.0
  O  O6  1  0.81446200  0.18553800  0.50000000  1.0
  O  O7  1  0.13802900  0.52474500  0.16239900  1.0
  O  O8  1  0.40908800  0.40908800  0.78549800  1.0
  O  O9  1  0.71924500  0.71924500  0.46531200  1.0
  O  O10  1  0.59091200  0.59091200  0.21450200  1.0
  O  O11  1  0.28075500  0.28075500  0.53468800  1.0
  O  O12  1  0.52474500  0.13802900  0.16239900  1.0
  O  O13  1  0.18553800  0.81446200  0.50000000  1.0
  O  O14  1  0.86197100  0.47525500  0.83760100  1.0
  O  O15  1  0.47525500  0.86197100  0.83760100  1.0
  F  F16  1  0.06017100  0.06017100  0.12967000  1.0
  F  F17  1  0.93982900  0.93982900  0.87033000  1.0