data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   3.08
_cell_length_c   14.37
_cell_angle_alpha   90.0
_cell_angle_beta   94.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe6 O6 F6'
_cell_volume   211.59
_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  0.39  0.0  0.31  1.0
  Fe  Fe1  1  0.01  0.0  0.55  1.0
  Fe  Fe2  1  0.75  0.0  0.8  1.0
  Fe  Fe3  1  0.32  0.54  0.93  1.0
  Fe  Fe4  1  0.88  0.54  0.18  1.0
  Fe  Fe5  1  0.53  0.54  0.38  1.0
  O  O6  1  0.77  0.54  0.92  1.0
  O  O7  1  0.19  0.0  0.38  1.0
  O  O8  1  0.2  0.0  0.82  1.0
  O  O9  1  0.72  0.0  0.12  1.0
  O  O10  1  0.02  0.0  0.2  1.0
  O  O11  1  0.48  0.0  0.96  1.0
  F  F12  1  1.0  0.54  0.45  1.0
  F  F13  1  0.53  0.54  0.72  1.0
  F  F14  1  0.37  0.0  0.49  1.0
  F  F15  1  0.23  0.54  0.62  1.0
  F  F16  1  0.72  0.54  0.84  1.0
  F  F17  1  0.76  0.54  0.45  1.0

data_FeOF
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.8
_cell_length_c   14.37
_cell_angle_alpha   94.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe6 O6 F6'
_cell_volume   211.59
_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  0.0  0.25  0.2  1.0
  Fe  Fe1  1  0.0  0.61  0.69  1.0
  Fe  Fe2  1  0.0  0.99  0.45  1.0
  Fe  Fe3  1  0.46  0.12  0.82  1.0
  Fe  Fe4  1  0.46  0.47  0.62  1.0
  Fe  Fe5  1  0.46  0.68  0.07  1.0
  O  O6  1  0.0  0.28  0.88  1.0
  O  O7  1  0.0  0.52  0.04  1.0
  O  O8  1  0.0  0.8  0.18  1.0
  O  O9  1  0.0  0.81  0.62  1.0
  O  O10  1  0.0  0.98  0.8  1.0
  O  O11  1  0.46  0.23  0.08  1.0
  F  F12  1  0.0  0.63  0.51  1.0
  F  F13  1  0.46  0.0  0.55  1.0
  F  F14  1  0.46  0.24  0.55  1.0
  F  F15  1  0.46  0.28  0.16  1.0
  F  F16  1  0.46  0.47  0.28  1.0
  F  F17  1  0.46  0.77  0.38  1.0

Fe Fe Fe Fe Fe Fe O O O O O O F F F F F F