# generated using pymatgen
data_FeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02988474
_cell_length_b   5.02988474
_cell_length_c   4.86860581
_cell_angle_alpha   66.48099462
_cell_angle_beta   66.48099462
_cell_angle_gamma   58.15372747
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeO2F
_chemical_formula_sum   'Fe2 O4 F2'
_cell_volume   93.08877324
_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  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe1  1  0.00000000  0.50000000  0.00000000  1.0
  O  O2  1  0.36468000  0.05941800  0.12610000  1.0
  O  O3  1  0.94058200  0.63532000  0.37390000  1.0
  O  O4  1  0.05941800  0.36468000  0.62610000  1.0
  O  O5  1  0.63532000  0.94058200  0.87390000  1.0
  F  F6  1  0.29715900  0.70284100  0.75000000  1.0
  F  F7  1  0.70284100  0.29715900  0.25000000  1.0