[CIF]
data_Li6FeO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53055200
_cell_length_b   5.62061638
_cell_length_c   10.54690067
_cell_angle_alpha   88.61353990
_cell_angle_beta   89.86866436
_cell_angle_gamma   60.90644674
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6FeO5F
_chemical_formula_sum   'Li12 Fe2 O10 F2'
_cell_volume   286.38483051
_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
  Li  Li0  1  1.01085211  1.78293025  8.03859424  1
  Li  Li1  1  2.82389557  1.88104536  9.79507965  1
  Li  Li2  1  2.64350613  1.71889360  4.55841275  1
  Li  Li3  1  3.41840787  3.73222644  8.05522086  1
  Li  Li4  1  6.35363909  5.00020682  7.82574826  1
  Li  Li5  1  4.46122006  2.04993706  6.70311962  1
  Li  Li6  1  4.65564592  4.79431561  2.66034280  1
  Li  Li7  1  4.56246266  1.66825386  2.73357582  1
  Li  Li8  1  5.45252577  3.52839750  9.82961915  1
  Li  Li9  1  5.53994780  3.35044824  4.48580178  1
  Li  Li10  1  1.07221289  1.90070989  1.44759094  1
  Li  Li11  1  2.03871403  3.62410733  2.70542550  1
  Fe  Fe12  1  5.48687563  0.00760996  0.00844510  1
  Fe  Fe13  1  2.74439025  5.04249142  5.27989399  1
  O  O14  1  0.16075774  0.18906448  1.80627037  1
  O  O15  1  5.49828322  0.37757683  7.07010708  1
  O  O16  1  4.42592209  4.90387643  4.69627554  1
  O  O17  1  1.95486151  3.56337602  4.62230450  1
  O  O18  1  2.88025966  1.87561428  7.73803944  1
  O  O19  1  3.49687203  3.67162561  10.03094142  1
  O  O20  1  4.59572518  1.61214616  4.80517618  1
  O  O21  1  5.70498048  3.22681707  2.47722863  1
  O  O22  1  6.37606063  1.82408791  10.08339381  1
  O  O23  1  6.62878065  5.14169620  9.76890091  1
  F  F24  1  2.68273396  1.70518206  2.46364899  1
  F  F25  1  5.38701790  3.36986156  7.72925696  1
[/CIF]
