# generated using pymatgen
data_Li3FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83336584
_cell_length_b   10.80891281
_cell_length_c   12.27078474
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeF5
_chemical_formula_sum   'Li24 Fe8 F40'
_cell_volume   773.70172528
_cell_formula_units_Z   8
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  0.01742690  0.30234924  0.33319387  1
  Li  Li1  1  0.01742690  0.19765076  0.83319387  1
  Li  Li2  1  0.12404529  0.07872356  0.59926286  1
  Li  Li3  1  0.12404529  0.42127644  0.09926286  1
  Li  Li4  1  0.24417894  0.53831519  0.31387744  1
  Li  Li5  1  0.24417894  0.96168481  0.81387744  1
  Li  Li6  1  0.25582106  0.03831519  0.31387744  1
  Li  Li7  1  0.25582106  0.46168481  0.81387744  1
  Li  Li8  1  0.37595471  0.92127644  0.09926286  1
  Li  Li9  1  0.37595471  0.57872356  0.59926286  1
  Li  Li10  1  0.48257310  0.69765076  0.83319387  1
  Li  Li11  1  0.48257310  0.80234924  0.33319387  1
  Li  Li12  1  0.51742690  0.30234924  0.16680613  1
  Li  Li13  1  0.51742690  0.19765076  0.66680613  1
  Li  Li14  1  0.62404529  0.42127644  0.40073714  1
  Li  Li15  1  0.62404529  0.07872356  0.90073714  1
  Li  Li16  1  0.74417894  0.53831519  0.18612256  1
  Li  Li17  1  0.74417894  0.96168481  0.68612256  1
  Li  Li18  1  0.75582106  0.46168481  0.68612256  1
  Li  Li19  1  0.75582106  0.03831519  0.18612256  1
  Li  Li20  1  0.87595471  0.92127644  0.40073714  1
  Li  Li21  1  0.87595471  0.57872356  0.90073714  1
  Li  Li22  1  0.98257310  0.80234924  0.16680613  1
  Li  Li23  1  0.98257310  0.69765076  0.66680613  1
  Fe  Fe24  1  0.17826133  0.15809576  0.06272418  1
  Fe  Fe25  1  0.17826133  0.34190424  0.56272418  1
  Fe  Fe26  1  0.32173867  0.65809576  0.06272418  1
  Fe  Fe27  1  0.32173867  0.84190424  0.56272418  1
  Fe  Fe28  1  0.67826133  0.15809576  0.43727582  1
  Fe  Fe29  1  0.67826133  0.34190424  0.93727582  1
  Fe  Fe30  1  0.82173867  0.65809576  0.43727582  1
  Fe  Fe31  1  0.82173867  0.84190424  0.93727582  1
  F  F32  1  0.00468357  0.61579387  0.12336349  1
  F  F33  1  0.00468357  0.88420613  0.62336349  1
  F  F34  1  0.13428686  0.66995839  0.51030876  1
  F  F35  1  0.13428686  0.83004161  0.01030876  1
  F  F36  1  0.09138430  0.49086200  0.67461107  1
  F  F37  1  0.09138430  0.00913800  0.17461107  1
  F  F38  1  0.16790369  0.27842182  0.19683841  1
  F  F39  1  0.16790369  0.22157818  0.69683841  1
  F  F40  1  0.28866393  0.10322342  0.91018172  1
  F  F41  1  0.28866393  0.39677658  0.41018172  1
  F  F42  1  0.21133607  0.60322342  0.91018172  1
  F  F43  1  0.21133607  0.89677658  0.41018172  1
  F  F44  1  0.33209631  0.77842182  0.19683841  1
  F  F45  1  0.33209631  0.72157818  0.69683841  1
  F  F46  1  0.40861570  0.99086200  0.67461107  1
  F  F47  1  0.40861570  0.50913800  0.17461107  1
  F  F48  1  0.36571314  0.16995839  0.51030876  1
  F  F49  1  0.36571314  0.33004161  0.01030876  1
  F  F50  1  0.49531643  0.11579387  0.12336349  1
  F  F51  1  0.49531643  0.38420613  0.62336349  1
  F  F52  1  0.50468357  0.88420613  0.87663651  1
  F  F53  1  0.50468357  0.61579387  0.37663651  1
  F  F54  1  0.63428686  0.66995839  0.98969124  1
  F  F55  1  0.63428686  0.83004161  0.48969124  1
  F  F56  1  0.59138430  0.49086200  0.82538893  1
  F  F57  1  0.59138430  0.00913800  0.32538893  1
  F  F58  1  0.66790369  0.22157818  0.80316159  1
  F  F59  1  0.66790369  0.27842182  0.30316159  1
  F  F60  1  0.78866393  0.39677658  0.08981828  1
  F  F61  1  0.78866393  0.10322342  0.58981828  1
  F  F62  1  0.71133607  0.60322342  0.58981828  1
  F  F63  1  0.71133607  0.89677658  0.08981828  1
  F  F64  1  0.83209631  0.77842182  0.30316159  1
  F  F65  1  0.83209631  0.72157818  0.80316159  1
  F  F66  1  0.90861570  0.50913800  0.32538893  1
  F  F67  1  0.90861570  0.99086200  0.82538893  1
  F  F68  1  0.86571314  0.33004161  0.48969124  1
  F  F69  1  0.86571314  0.16995839  0.98969124  1
  F  F70  1  0.99531643  0.11579387  0.37663651  1
  F  F71  1  0.99531643  0.38420613  0.87663651  1
