# generated using pymatgen
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77240200
_cell_length_b   5.66201783
_cell_length_c   7.65431903
_cell_angle_alpha   84.06676394
_cell_angle_beta   86.99748224
_cell_angle_gamma   84.80768467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(O2F)2
_chemical_formula_sum   'Fe6 O8 F4'
_cell_volume   204.68509633
_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  0.50000000  0.50000000  1.0
  Fe  Fe1  1  0.45952400  0.14262100  0.82173400  1.0
  Fe  Fe2  1  0.54047600  0.85737900  0.17826600  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe4  1  0.98813300  0.31969500  0.16570400  1.0
  Fe  Fe5  1  0.01186700  0.68030500  0.83429600  1.0
  O  O6  1  0.82073600  0.04209700  0.27819300  1.0
  O  O7  1  0.69562500  0.87391200  0.93595600  1.0
  O  O8  1  0.69007600  0.20057100  0.60041500  1.0
  O  O9  1  0.69661700  0.53967800  0.27145500  1.0
  O  O10  1  0.30992400  0.79942900  0.39958500  1.0
  O  O11  1  0.30437500  0.12608800  0.06404400  1.0
  O  O12  1  0.30338300  0.46032200  0.72854500  1.0
  O  O13  1  0.17926400  0.95790300  0.72180700  1.0
  F  F14  1  0.80265200  0.69957500  0.60264400  1.0
  F  F15  1  0.81259200  0.38334200  0.93305400  1.0
  F  F16  1  0.18740800  0.61665800  0.06694600  1.0
  F  F17  1  0.19734800  0.30042500  0.39735600  1.0