# generated using pymatgen
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52082622
_cell_length_b   5.52082622
_cell_length_c   5.52082622
_cell_angle_alpha   113.77817062
_cell_angle_beta   108.70214338
_cell_angle_gamma   106.03085066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O7F
_chemical_formula_sum   'Fe4 O7 F1'
_cell_volume   128.91782156
_cell_formula_units_Z   1
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  0.73000400  0.73000400  0.00000000  1.0
  Fe  Fe1  1  0.75611700  0.25611700  0.50000000  1.0
  Fe  Fe2  1  0.25842700  0.51622000  0.25779300  1.0
  Fe  Fe3  1  0.25842700  0.00063400  0.74220700  1.0
  O  O4  1  0.45212600  0.95212600  0.50000000  1.0
  O  O5  1  0.43246500  0.43246500  0.00000000  1.0
  O  O6  1  0.94307900  0.49731500  0.93993200  1.0
  O  O7  1  0.94307900  0.00314700  0.44576400  1.0
  O  O8  1  0.55738300  0.49731500  0.55423600  1.0
  O  O9  1  0.55738300  0.00314700  0.06006800  1.0
  O  O10  1  0.06484500  0.56484500  0.50000000  1.0
  F  F11  1  0.04666400  0.04666400  0.00000000  1.0