# generated using pymatgen
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73863514
_cell_length_b   4.73863514
_cell_length_c   9.04199641
_cell_angle_alpha   89.57009864
_cell_angle_beta   89.57009864
_cell_angle_gamma   84.75517726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(O2F)2
_chemical_formula_sum   'Fe6 O8 F4'
_cell_volume   202.17448472
_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  0.00730300  0.00730300  0.67297200  1.0
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.99269700  0.99269700  0.32702800  1.0
  Fe  Fe3  1  0.46432500  0.46432500  0.83387600  1.0
  Fe  Fe4  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe5  1  0.53567500  0.53567500  0.16612400  1.0
  O  O6  1  0.81959100  0.81959100  0.16269200  1.0
  O  O7  1  0.68646500  0.29995900  0.66014100  1.0
  O  O8  1  0.69646200  0.30353800  0.00000000  1.0
  O  O9  1  0.70004100  0.31353500  0.33985900  1.0
  O  O10  1  0.29995900  0.68646500  0.66014100  1.0
  O  O11  1  0.30353800  0.69646200  0.00000000  1.0
  O  O12  1  0.31353500  0.70004100  0.33985900  1.0
  O  O13  1  0.18040900  0.18040900  0.83730800  1.0
  F  F14  1  0.80255000  0.80255000  0.83070200  1.0
  F  F15  1  0.80993500  0.80993500  0.50208800  1.0
  F  F16  1  0.19006500  0.19006500  0.49791200  1.0
  F  F17  1  0.19745000  0.19745000  0.16929800  1.0