# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68367700
_cell_length_b   5.73324223
_cell_length_c   5.08808510
_cell_angle_alpha   91.17630900
_cell_angle_beta   89.99889404
_cell_angle_gamma   90.00139820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe4 O4 F4'
_cell_volume   136.59979921
_cell_formula_units_Z   4
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  0.02552600  0.16562800  0.21919200  1.0
  Fe  Fe1  1  0.97447400  0.83437200  0.78080800  1.0
  Fe  Fe2  1  0.47444700  0.66564900  0.21918700  1.0
  Fe  Fe3  1  0.52555300  0.33435100  0.78081300  1.0
  O  O4  1  0.22526700  0.88949000  0.08131700  1.0
  O  O5  1  0.27472700  0.38948700  0.08132700  1.0
  O  O6  1  0.72527300  0.61051300  0.91867300  1.0
  O  O7  1  0.77473200  0.11051000  0.91868300  1.0
  F  F8  1  0.76526700  0.87327600  0.42482600  1.0
  F  F9  1  0.73472700  0.37326800  0.42483500  1.0
  F  F10  1  0.26527400  0.62673200  0.57516500  1.0
  F  F11  1  0.23473300  0.12672400  0.57517300  1.0