# generated using pymatgen
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68692100
_cell_length_b   5.62693610
_cell_length_c   7.68465742
_cell_angle_alpha   85.28824480
_cell_angle_beta   88.87116098
_cell_angle_gamma   87.88366458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(O2F)2
_chemical_formula_sum   'Fe6 O8 F4'
_cell_volume   201.81656662
_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  0.50262800  0.82831300  0.65975100  1.0
  Fe  Fe1  1  0.48784400  0.51055200  0.99751800  1.0
  Fe  Fe2  1  0.50904900  0.18607500  0.35557800  1.0
  Fe  Fe3  1  0.00321900  0.33705200  0.67397400  1.0
  Fe  Fe4  1  0.96992100  0.64652400  0.31933100  1.0
  Fe  Fe5  1  0.02336300  0.99085000  0.99713600  1.0
  O  O6  1  0.81354100  0.36571200  0.44735600  1.0
  O  O7  1  0.81052200  0.70983200  0.09210200  1.0
  O  O8  1  0.69416700  0.53998200  0.76449200  1.0
  O  O9  1  0.69030800  0.87003800  0.43698500  1.0
  O  O10  1  0.30000200  0.12387400  0.57554900  1.0
  O  O11  1  0.31225900  0.46274800  0.23179100  1.0
  O  O12  1  0.30587100  0.79870000  0.88289400  1.0
  O  O13  1  0.18568700  0.29405700  0.89788800  1.0
  F  F14  1  0.79394500  0.03859800  0.77256400  1.0
  F  F15  1  0.70165300  0.19925100  0.10367800  1.0
  F  F16  1  0.20046200  0.96604000  0.23412600  1.0
  F  F17  1  0.19555800  0.63179800  0.55728700  1.0