# generated using pymatgen
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65097400
_cell_length_b   5.59450900
_cell_length_c   7.71425823
_cell_angle_alpha   86.78726835
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(O2F)2
_chemical_formula_sum   'Fe6 O8 F4'
_cell_volume   200.40887894
_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  0.48920500  0.23203600  0.00183100  1.0
  Fe  Fe1  1  0.53066100  0.56774600  0.65683900  1.0
  Fe  Fe2  1  0.49150500  0.90604600  0.31866800  1.0
  Fe  Fe3  1  0.98920500  0.76796400  0.99816900  1.0
  Fe  Fe4  1  0.03066100  0.43225400  0.34316100  1.0
  Fe  Fe5  1  0.99150500  0.09395400  0.68133200  1.0
  O  O6  1  0.18704500  0.71432500  0.22357300  1.0
  O  O7  1  0.19600500  0.04455800  0.89832100  1.0
  O  O8  1  0.19575900  0.38031600  0.57194200  1.0
  O  O9  1  0.30790700  0.21669400  0.23332400  1.0
  O  O10  1  0.69600500  0.95544200  0.10167900  1.0
  O  O11  1  0.69575900  0.61968400  0.42805800  1.0
  O  O12  1  0.68704500  0.28567500  0.77642700  1.0
  O  O13  1  0.80790700  0.78330600  0.76667600  1.0
  F  F14  1  0.30030500  0.87924700  0.56218700  1.0
  F  F15  1  0.30160700  0.54856800  0.90065200  1.0
  F  F16  1  0.80030500  0.12075300  0.43781300  1.0
  F  F17  1  0.80160700  0.45143200  0.09934800  1.0