# generated using pymatgen
data_LiFe3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17885200
_cell_length_b   7.15166119
_cell_length_c   7.54998025
_cell_angle_alpha   78.92283122
_cell_angle_beta   89.18760757
_cell_angle_gamma   89.73037082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe3(OF3)2
_chemical_formula_sum   'Li2 Fe6 O4 F12'
_cell_volume   274.39372369
_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  0.21387700  0.16079400  0.16312000  1
  Li  Li1  1  0.78612300  0.83920600  0.83688000  1
  Fe  Fe2  1  0.28622200  0.66131300  0.17856100  1
  Fe  Fe3  1  0.75796100  0.83187200  0.32445600  1
  Fe  Fe4  1  0.26019600  0.68264300  0.68007500  1
  Fe  Fe5  1  0.73980400  0.31735700  0.31992500  1
  Fe  Fe6  1  0.24203900  0.16812800  0.67554400  1
  Fe  Fe7  1  0.71377800  0.33868700  0.82143900  1
  O  O8  1  0.59638000  0.57718100  0.29963100  1
  O  O9  1  0.11540000  0.92219200  0.68923200  1
  O  O10  1  0.88460000  0.07780800  0.31076800  1
  O  O11  1  0.40362000  0.42281900  0.70036900  1
  F  F12  1  0.42327400  0.92060400  0.19144100  1
  F  F13  1  0.95852900  0.80354200  0.09153400  1
  F  F14  1  0.09568900  0.68702600  0.42567000  1
  F  F15  1  0.08301800  0.42774900  0.19314000  1
  F  F16  1  0.57477800  0.31384200  0.06963900  1
  F  F17  1  0.59214500  0.79772500  0.56986600  1
  F  F18  1  0.40785500  0.20227500  0.43013400  1
  F  F19  1  0.42522200  0.68615800  0.93036100  1
  F  F20  1  0.91698200  0.57225100  0.80686000  1
  F  F21  1  0.90431100  0.31297400  0.57433000  1
  F  F22  1  0.04147100  0.19645800  0.90846600  1
  F  F23  1  0.57672600  0.07939600  0.80855900  1
