# generated using pymatgen
data_Li3FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30245731
_cell_length_b   8.30245731
_cell_length_c   9.89452400
_cell_angle_alpha   84.67153079
_cell_angle_beta   84.67153079
_cell_angle_gamma   62.35593390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeF6
_chemical_formula_sum   'Li18 Fe6 F36'
_cell_volume   600.61116723
_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
  Li  Li0  1  0.94089495  0.65421788  0.93306506  1
  Li  Li1  1  0.65421788  0.94089495  0.43306506  1
  Li  Li2  1  0.46930329  0.87069262  0.95328308  1
  Li  Li3  1  0.87069262  0.46930329  0.45328308  1
  Li  Li4  1  0.99263496  0.29826906  0.73010627  1
  Li  Li5  1  0.29826906  0.99263496  0.23010627  1
  Li  Li6  1  0.67154575  0.36254697  0.97479859  1
  Li  Li7  1  0.36254697  0.67154575  0.47479859  1
  Li  Li8  1  0.18402149  0.81597851  0.75000000  1
  Li  Li9  1  0.81597851  0.18402149  0.25000000  1
  Li  Li10  1  0.63745303  0.32845425  0.52520141  1
  Li  Li11  1  0.32845425  0.63745303  0.02520141  1
  Li  Li12  1  0.70173094  0.00736504  0.76989373  1
  Li  Li13  1  0.00736504  0.70173094  0.26989373  1
  Li  Li14  1  0.12930738  0.53069671  0.54671692  1
  Li  Li15  1  0.53069671  0.12930738  0.04671692  1
  Li  Li16  1  0.34578212  0.05910505  0.56693494  1
  Li  Li17  1  0.05910505  0.34578212  0.06693494  1
  Fe  Fe18  1  0.65614696  0.66243764  0.71103837  1
  Fe  Fe19  1  0.66243764  0.65614696  0.21103837  1
  Fe  Fe20  1  0.00000000  -0.00000000  0.50000000  1
  Fe  Fe21  1  0.00000000  -0.00000000  -0.00000000  1
  Fe  Fe22  1  0.33756236  0.34385304  0.78896163  1
  Fe  Fe23  1  0.34385304  0.33756236  0.28896163  1
  F  F24  1  0.93026485  0.91953520  0.67211922  1
  F  F25  1  0.91953520  0.93026485  0.17211922  1
  F  F26  1  0.72495100  0.77220488  0.84974937  1
  F  F27  1  0.58415433  0.90073104  0.61376719  1
  F  F28  1  0.77220488  0.72495100  0.34974937  1
  F  F29  1  0.89684267  0.56784172  0.61813976  1
  F  F30  1  0.90073104  0.58415433  0.11376719  1
  F  F31  1  0.56784172  0.89684267  0.11813976  1
  F  F32  1  0.75646232  0.43372293  0.81298289  1
  F  F33  1  0.42506428  0.74886528  0.81386776  1
  F  F34  1  0.43372293  0.75646232  0.31298289  1
  F  F35  1  0.74886528  0.42506428  0.31386776  1
  F  F36  1  0.58851162  0.57277832  0.56448249  1
  F  F37  1  0.91294125  0.24432139  0.56274958  1
  F  F38  1  0.24230212  0.90536191  0.56854267  1
  F  F39  1  0.57277832  0.58851162  0.06448249  1
  F  F40  1  0.24432139  0.91294125  0.06274958  1
  F  F41  1  0.90536191  0.24230212  0.06854267  1
  F  F42  1  0.09463809  0.75769788  0.93145733  1
  F  F43  1  0.75567861  0.08705875  0.93725042  1
  F  F44  1  0.42722168  0.41148838  0.93551751  1
  F  F45  1  0.75769788  0.09463809  0.43145733  1
  F  F46  1  0.08705875  0.75567861  0.43725042  1
  F  F47  1  0.41148838  0.42722168  0.43551751  1
  F  F48  1  0.25113472  0.57493572  0.68613224  1
  F  F49  1  0.56627707  0.24353768  0.68701711  1
  F  F50  1  0.57493572  0.25113472  0.18613224  1
  F  F51  1  0.24353768  0.56627707  0.18701711  1
  F  F52  1  0.43215828  0.10315733  0.88186024  1
  F  F53  1  0.09926896  0.41584567  0.88623281  1
  F  F54  1  0.10315733  0.43215828  0.38186024  1
  F  F55  1  0.22779512  0.27504900  0.65025063  1
  F  F56  1  0.41584567  0.09926896  0.38623281  1
  F  F57  1  0.27504900  0.22779512  0.15025063  1
  F  F58  1  0.08046480  0.06973515  0.82788078  1
  F  F59  1  0.06973515  0.08046480  0.32788078  1
