# generated using pymatgen
data_Fe4O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10849500
_cell_length_b   4.72340800
_cell_length_c   9.40937289
_cell_angle_alpha   88.17977091
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O5F3
_chemical_formula_sum   'Fe8 O10 F6'
_cell_volume   271.35083775
_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  0.25000000  0.93801600  0.74410500  1.0
  Fe  Fe1  1  0.75000000  0.97106400  0.73266200  1.0
  Fe  Fe2  1  0.25000000  0.02893600  0.26733800  1.0
  Fe  Fe3  1  0.75000000  0.06198400  0.25589500  1.0
  Fe  Fe4  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe6  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe7  1  0.00000000  0.50000000  0.00000000  1.0
  O  O8  1  0.49953600  0.21316900  0.35250000  1.0
  O  O9  1  0.00046400  0.21316900  0.35250000  1.0
  O  O10  1  0.75000000  0.30224400  0.59279600  1.0
  O  O11  1  0.25000000  0.31316600  0.09966500  1.0
  O  O12  1  0.75000000  0.32205300  0.09396200  1.0
  O  O13  1  0.25000000  0.69775600  0.40720400  1.0
  O  O14  1  0.25000000  0.67794700  0.90603800  1.0
  O  O15  1  0.75000000  0.68683400  0.90033500  1.0
  O  O16  1  0.50046400  0.78683100  0.64750000  1.0
  O  O17  1  0.99953600  0.78683100  0.64750000  1.0
  F  F18  1  0.49669800  0.17669900  0.84350500  1.0
  F  F19  1  0.00330200  0.17669900  0.84350500  1.0
  F  F20  1  0.25000000  0.29016800  0.60671500  1.0
  F  F21  1  0.75000000  0.70983200  0.39328500  1.0
  F  F22  1  0.99669800  0.82330100  0.15649500  1.0
  F  F23  1  0.50330200  0.82330100  0.15649500  1.0