# generated using pymatgen
data_Fe4O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69851700
_cell_length_b   7.69933009
_cell_length_c   7.70600738
_cell_angle_alpha   104.75890301
_cell_angle_beta   91.20723277
_cell_angle_gamma   90.86039216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O5F3
_chemical_formula_sum   'Fe8 O10 F6'
_cell_volume   269.45083762
_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  0.49653500  0.40810100  0.14173700  1.0
  Fe  Fe1  1  0.50780600  0.12235000  0.37141800  1.0
  Fe  Fe2  1  0.45180700  0.86662700  0.63304400  1.0
  Fe  Fe3  1  0.50771900  0.62036200  0.87094100  1.0
  Fe  Fe4  1  0.99565200  0.76338800  0.25815600  1.0
  Fe  Fe5  1  0.02394200  0.47844100  0.48258200  1.0
  Fe  Fe6  1  0.05952700  0.24434200  0.74542100  1.0
  Fe  Fe7  1  0.96259000  0.99440700  0.99314600  1.0
  O  O8  1  0.20850800  0.26522500  0.51871700  1.0
  O  O9  1  0.18710400  0.54438900  0.27935800  1.0
  O  O10  1  0.18136900  0.02232300  0.78640900  1.0
  O  O11  1  0.30470800  0.90696300  0.40402500  1.0
  O  O12  1  0.30135900  0.63579900  0.65863200  1.0
  O  O13  1  0.32148700  0.41177200  0.90487600  1.0
  O  O14  1  0.70422800  0.61126100  0.09153200  1.0
  O  O15  1  0.69241300  0.34419100  0.34243900  1.0
  O  O16  1  0.68304200  0.83454400  0.84605000  1.0
  O  O17  1  0.80444800  0.97717600  0.22433200  1.0
  F  F18  1  0.19800900  0.78670700  0.03091600  1.0
  F  F19  1  0.29575800  0.15728700  0.14380500  1.0
  F  F20  1  0.69904400  0.09619800  0.60700500  1.0
  F  F21  1  0.80308200  0.22876200  0.97052500  1.0
  F  F22  1  0.79615100  0.72289900  0.47920300  1.0
  F  F23  1  0.81371200  0.45648500  0.71572500  1.0