# generated using pymatgen
data_Fe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74280993
_cell_length_b   5.74358566
_cell_length_c   5.74367733
_cell_angle_alpha   105.84551326
_cell_angle_beta   65.76000559
_cell_angle_gamma   71.54828341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2OF3
_chemical_formula_sum   'Fe4 O2 F6'
_cell_volume   144.99531592
_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  0.25368600  0.49870300  0.24761200  1.0
  Fe  Fe1  1  0.53853500  0.96254000  0.49892100  1.0
  Fe  Fe2  1  0.75104900  0.50127700  0.74767700  1.0
  Fe  Fe3  1  0.96361000  0.03745500  0.99894200  1.0
  O  O4  1  0.83118200  0.66742500  0.50136600  1.0
  O  O5  1  0.66616300  0.33260000  0.00124500  1.0
  F  F6  1  0.28466600  0.71471900  0.00061800  1.0
  F  F7  1  0.21416100  0.28531000  0.50053700  1.0
  F  F8  1  0.24932400  0.79338000  0.54423300  1.0
  F  F9  1  0.74916200  0.79359200  0.04430700  1.0
  F  F10  1  0.24932700  0.20645600  0.95728200  1.0
  F  F11  1  0.74913400  0.20654300  0.45726000  1.0