# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06760000
_cell_length_b   4.76543200
_cell_length_c   14.17528934
_cell_angle_alpha   89.43494675
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe6 O6 F6'
_cell_volume   207.21052833
_cell_formula_units_Z   6
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  0.00000000  0.98512300  0.99618200  1.0
  Fe  Fe1  1  0.00000000  0.99640800  0.33344000  1.0
  Fe  Fe2  1  0.00000000  0.99086500  0.66795100  1.0
  Fe  Fe3  1  0.50000000  0.49785700  0.18850400  1.0
  Fe  Fe4  1  0.50000000  0.49816100  0.47874600  1.0
  Fe  Fe5  1  0.50000000  0.55183200  0.83293400  1.0
  O  O6  1  0.50000000  0.80897800  0.26950400  1.0
  O  O7  1  0.50000000  0.80620800  0.94014000  1.0
  O  O8  1  0.00000000  0.69988000  0.76810500  1.0
  O  O9  1  0.00000000  0.69582300  0.43631400  1.0
  O  O10  1  0.00000000  0.29470500  0.22822900  1.0
  O  O11  1  0.50000000  0.18362700  0.39828400  1.0
  F  F12  1  0.50000000  0.79591500  0.59936300  1.0
  F  F13  1  0.00000000  0.69901500  0.09853800  1.0
  F  F14  1  0.00000000  0.30186000  0.57049100  1.0
  F  F15  1  0.00000000  0.30049300  0.89964200  1.0
  F  F16  1  0.50000000  0.18827200  0.05756900  1.0
  F  F17  1  0.50000000  0.20497600  0.73606300  1.0