# generated using pymatgen
data_Fe4O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61608052
_cell_length_b   5.61608052
_cell_length_c   9.40071518
_cell_angle_alpha   88.49598457
_cell_angle_beta   88.49598457
_cell_angle_gamma   66.10214720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O5F3
_chemical_formula_sum   'Fe8 O10 F6'
_cell_volume   270.94963619
_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  0.96714200  0.96714200  0.74490900  1.0
  Fe  Fe1  1  0.03285800  0.03285800  0.25509100  1.0
  Fe  Fe2  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe3  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe5  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe6  1  0.51447800  0.51447800  0.26928200  1.0
  Fe  Fe7  1  0.48552200  0.48552200  0.73071800  1.0
  O  O8  1  0.16175600  0.16175600  0.09337000  1.0
  O  O9  1  0.34236800  0.34236800  0.89911400  1.0
  O  O10  1  0.34727500  0.34727500  0.40636900  1.0
  O  O11  1  0.14190000  0.64329900  0.64725500  1.0
  O  O12  1  0.64329900  0.14190000  0.64725500  1.0
  O  O13  1  0.35670100  0.85810000  0.35274500  1.0
  O  O14  1  0.85810000  0.35670100  0.35274500  1.0
  O  O15  1  0.65272500  0.65272500  0.59363100  1.0
  O  O16  1  0.65763200  0.65763200  0.10088600  1.0
  O  O17  1  0.83824400  0.83824400  0.90663000  1.0
  F  F18  1  0.14288000  0.14288000  0.60566100  1.0
  F  F19  1  0.66522200  0.16174900  0.15675800  1.0
  F  F20  1  0.16174900  0.66522200  0.15675800  1.0
  F  F21  1  0.33477800  0.83825100  0.84324200  1.0
  F  F22  1  0.83825100  0.33477800  0.84324200  1.0
  F  F23  1  0.85712000  0.85712000  0.39433900  1.0