# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76889815
_cell_length_b   4.76889815
_cell_length_c   6.15238500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.04156005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe4 O4 F4'
_cell_volume   139.91989971
_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  0.05611600  0.98578100  0.75000000  1.0
  Fe  Fe1  1  0.98578100  0.05611600  0.25000000  1.0
  Fe  Fe2  1  0.48159500  0.48159500  0.50000000  1.0
  Fe  Fe3  1  0.48159500  0.48159500  0.00000000  1.0
  O  O4  1  0.19269800  0.19269800  0.50000000  1.0
  O  O5  1  0.19269800  0.19269800  0.00000000  1.0
  O  O6  1  0.68139800  0.32251000  0.25000000  1.0
  O  O7  1  0.32251000  0.68139800  0.75000000  1.0
  F  F8  1  0.70497600  0.29048900  0.75000000  1.0
  F  F9  1  0.29048900  0.70497600  0.25000000  1.0
  F  F10  1  0.80507000  0.80507000  0.50000000  1.0
  F  F11  1  0.80507000  0.80507000  0.00000000  1.0