# generated using pymatgen
data_Li2Fe3OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10395100
_cell_length_b   10.66055585
_cell_length_c   11.91451852
_cell_angle_alpha   115.72949825
_cell_angle_beta   100.80904164
_cell_angle_gamma   90.40463774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe3OF6
_chemical_formula_sum   'Li8 Fe12 O4 F24'
_cell_volume   570.76935842
_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
  Li  Li0  1  0.02205800  0.25605500  0.99577300  1
  Li  Li1  1  0.82699900  0.29577200  0.77029800  1
  Li  Li2  1  0.53343600  0.02493700  0.21266100  1
  Li  Li3  1  0.79419700  0.35192500  0.49995000  1
  Li  Li4  1  0.47787500  0.75217600  0.00902200  1
  Li  Li5  1  0.47187100  0.81599800  0.79898800  1
  Li  Li6  1  0.17973300  0.52755600  0.20958300  1
  Li  Li7  1  0.17951600  0.84367500  0.49317100  1
  Fe  Fe8  1  0.40845600  0.11510100  0.77987100  1
  Fe  Fe9  1  0.71941100  0.01881100  0.50145900  1
  Fe  Fe10  1  0.48069700  0.47155300  0.95727700  1
  Fe  Fe11  1  0.17288000  0.18847900  0.35018200  1
  Fe  Fe12  1  0.33776600  0.30156000  0.63100600  1
  Fe  Fe13  1  0.62187000  0.33025000  0.20129300  1
  Fe  Fe14  1  0.88752000  0.62170300  0.78766200  1
  Fe  Fe15  1  0.32588200  0.53320000  0.52332200  1
  Fe  Fe16  1  0.00057300  0.98356800  0.98516400  1
  Fe  Fe17  1  0.68705000  0.68625200  0.33732800  1
  Fe  Fe18  1  0.83191000  0.81019300  0.65194500  1
  Fe  Fe19  1  0.05506600  0.84172300  0.22577900  1
  O  O20  1  0.55530200  0.14818700  0.64777300  1
  O  O21  1  0.42315400  0.33984800  0.48891400  1
  O  O22  1  0.61184200  0.66915700  0.66865600  1
  O  O23  1  0.89302200  0.86036300  0.37117600  1
  F  F24  1  0.21157000  0.10111400  0.91719500  1
  F  F25  1  0.71253600  0.30574000  0.92005800  1
  F  F26  1  0.39822900  0.01242100  0.34567500  1
  F  F27  1  0.19503000  0.30045000  0.79735600  1
  F  F28  1  0.96069100  0.18688800  0.50083200  1
  F  F29  1  0.38110100  0.18025900  0.20041200  1
  F  F30  1  0.65163000  0.46042200  0.79210800  1
  F  F31  1  0.84346100  0.17467100  0.07598900  1
  F  F32  1  0.21479600  0.59713300  0.91300100  1
  F  F33  1  0.07206500  0.47611200  0.64256700  1
  F  F34  1  0.90935200  0.34235000  0.35410200  1
  F  F35  1  0.72155400  0.81694500  0.94016600  1
  F  F36  1  0.31910500  0.39393200  0.07459900  1
  F  F37  1  0.45269600  0.52263000  0.34342900  1
  F  F38  1  0.12290000  0.81177900  0.81785500  1
  F  F39  1  0.82960000  0.49878000  0.21034300  1
  F  F40  1  0.03854500  0.67564400  0.49955700  1
  F  F41  1  0.31412500  0.69273600  0.21928600  1
  F  F42  1  0.66527400  0.97062800  0.80387000  1
  F  F43  1  0.54074200  0.82744100  0.50472800  1
  F  F44  1  0.72579800  0.66258500  0.07766200  1
  F  F45  1  0.07092500  0.96440200  0.64652100  1
  F  F46  1  0.25628000  0.88862900  0.08697500  1
  F  F47  1  0.89390300  0.02246700  0.21746000  1
