data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   7.37
_cell_angle_alpha   109.44
_cell_angle_beta   109.44
_cell_angle_gamma   70.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O5F
_chemical_formula_sum   'Fe6 O10 F2'
_cell_volume   195.41
_cell_formula_units_Z   2
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  0.7  1.0
  Fe  Fe1  1  0.1  0.0  0.46  1.0
  Fe  Fe2  1  0.14  0.0  0.17  1.0
  Fe  Fe3  1  0.57  0.0  0.1  1.0
  Fe  Fe4  1  0.48  0.0  0.43  1.0
  Fe  Fe5  1  0.03  0.0  0.67  1.0
  O  O6  1  0.99  0.97  0.48  1.0
  O  O7  1  0.06  0.96  0.22  1.0
  O  O8  1  0.11  0.0  0.42  1.0
  O  O9  1  0.9  0.0  0.26  1.0
  O  O10  1  0.04  0.0  0.54  1.0
  O  O11  1  0.02  0.0  0.71  1.0
  O  O12  1  0.06  0.04  0.22  1.0
  O  O13  1  0.99  0.03  0.48  1.0
  O  O14  1  0.52  0.23  0.03  1.0
  O  O15  1  0.52  0.77  0.03  1.0
  F  F16  1  0.04  0.0  0.04  1.0
  F  F17  1  0.01  0.0  0.23  1.0

data_Fe3O5F
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   7.37
_cell_angle_alpha   70.56
_cell_angle_beta   70.56
_cell_angle_gamma   70.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O5F
_chemical_formula_sum   'Fe6 O10 F2'
_cell_volume   195.41
_cell_formula_units_Z   2
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  0.43  0.0  0.1  1.0
  Fe  Fe1  1  0.52  0.0  0.43  1.0
  Fe  Fe2  1  0.61  0.0  0.7  1.0
  Fe  Fe3  1  0.86  0.0  0.17  1.0
  Fe  Fe4  1  0.9  0.0  0.46  1.0
  Fe  Fe5  1  0.97  0.0  0.67  1.0
  O  O6  1  0.01  0.03  0.48  1.0
  O  O7  1  0.01  0.97  0.48  1.0
  O  O8  1  0.1  0.0  0.26  1.0
  O  O9  1  0.48  0.23  0.03  1.0
  O  O10  1  0.48  0.77  0.03  1.0
  O  O11  1  0.89  0.0  0.42  1.0
  O  O12  1  0.94  0.04  0.22  1.0
  O  O13  1  0.94  0.96  0.22  1.0
  O  O14  1  0.96  0.0  0.54  1.0
  O  O15  1  0.98  0.0  0.71  1.0
  F  F16  1  0.96  0.0  0.04  1.0
  F  F17  1  0.99  0.0  0.23  1.0

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