# generated using pymatgen
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51374899
_cell_length_b   5.51374899
_cell_length_c   4.61571698
_cell_angle_alpha   88.37359540
_cell_angle_beta   88.37359540
_cell_angle_gamma   66.59746352
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O7F
_chemical_formula_sum   'Fe4 O7 F1'
_cell_volume   128.70661747
_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  0.99928000  0.99928000  0.49881400  1.0
  Fe  Fe1  1  0.50679000  0.50679000  0.51276200  1.0
  Fe  Fe2  1  0.50231200  0.98912600  0.99129300  1.0
  Fe  Fe3  1  0.98912600  0.50231200  0.99129300  1.0
  O  O4  1  0.65055000  0.65055000  0.80216700  1.0
  O  O5  1  0.15757900  0.15757900  0.81432900  1.0
  O  O6  1  0.15528800  0.65170500  0.69421000  1.0
  O  O7  1  0.65170500  0.15528800  0.69421000  1.0
  O  O8  1  0.84725400  0.34675900  0.30663100  1.0
  O  O9  1  0.34675900  0.84725400  0.30663100  1.0
  O  O10  1  0.84206500  0.84206500  0.18434200  1.0
  F  F11  1  0.35129000  0.35129000  0.20331700  1.0