# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66541473
_cell_length_b   5.57121319
_cell_length_c   5.54560930
_cell_angle_alpha   65.62309934
_cell_angle_beta   89.99994625
_cell_angle_gamma   89.99981278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe4 O4 F4'
_cell_volume   131.29138514
_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  0.47394232  0.99670084  0.53050082  1.0
  Fe  Fe1  1  0.52606010  0.50329935  0.96949873  1.0
  Fe  Fe2  1  0.97394412  0.00329795  0.96949946  1.0
  Fe  Fe3  1  0.02605927  0.49670304  0.53049843  1.0
  O  O4  1  0.19716449  0.15550971  0.65051297  1.0
  O  O5  1  0.30283293  0.65551179  0.65051757  1.0
  O  O6  1  0.69716463  0.84448835  0.84948493  1.0
  O  O7  1  0.80283292  0.34448847  0.84948309  1.0
  F  F8  1  0.19512327  0.64601991  0.15446624  1.0
  F  F9  1  0.30488132  0.14602142  0.15446500  1.0
  F  F10  1  0.69511851  0.35397812  0.34553476  1.0
  F  F11  1  0.80487612  0.85398005  0.34553502  1.0