# generated using pymatgen
data_LiFe8F33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79330201
_cell_length_b   8.79282851
_cell_length_c   18.58475002
_cell_angle_alpha   89.99560784
_cell_angle_beta   90.00219206
_cell_angle_gamma   119.99821930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8F33
_chemical_formula_sum   'Li2 Fe16 F66'
_cell_volume   1244.44509101
_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  0.33332100  0.66667000  0.06879800  1
  Li  Li1  1  0.66667900  0.33334800  0.56879800  1
  Fe  Fe2  1  0.00688200  0.67076500  0.25028300  1
  Fe  Fe3  1  0.00815500  0.34294900  0.87668500  1
  Fe  Fe4  1  0.33477600  0.99180900  0.87676200  1
  Fe  Fe5  1  0.99991700  0.99996100  0.99423300  1
  Fe  Fe6  1  0.00008300  0.00004400  0.49423300  1
  Fe  Fe7  1  0.33329600  0.66664500  0.63128300  1
  Fe  Fe8  1  0.32936600  0.33602200  0.25025200  1
  Fe  Fe9  1  0.33605100  0.32920200  0.75030300  1
  Fe  Fe10  1  0.66394900  0.99315000  0.25030300  1
  Fe  Fe11  1  0.65689900  0.66516100  0.87670700  1
  Fe  Fe12  1  0.66522400  0.65703300  0.37676200  1
  Fe  Fe13  1  0.34310100  0.00826100  0.37670700  1
  Fe  Fe14  1  0.66670400  0.33334900  0.13128300  1
  Fe  Fe15  1  0.99311800  0.66388400  0.75028300  1
  Fe  Fe16  1  0.67063400  0.00665700  0.75025200  1
  Fe  Fe17  1  0.99184500  0.33479500  0.37668500  1
  F  F18  1  0.07229600  0.87927800  0.04383300  1
  F  F19  1  0.07250200  0.85760600  0.19762000  1
  F  F20  1  0.11893800  0.92693100  0.43211000  1
  F  F21  1  0.13911200  0.86759200  0.81053600  1
  F  F22  1  0.20683900  0.80682700  0.31921000  1
  F  F23  1  0.07502100  0.54692700  0.81069300  1
  F  F24  1  0.12369200  0.59344200  0.19676500  1
  F  F25  1  0.21315500  0.74135000  0.69266200  1
  F  F26  1  0.24943500  0.79890700  0.93011300  1
  F  F27  1  0.10959600  0.51950900  0.43166700  1
  F  F28  1  0.13990900  0.54541200  0.58177300  1
  F  F29  1  0.40989000  0.89051700  0.43166500  1
  F  F30  1  0.07312100  0.19197400  0.43209800  1
  F  F31  1  0.40550600  0.86004400  0.58178900  1
  F  F32  1  0.20101800  0.45043800  0.93011300  1
  F  F33  1  0.13237600  0.27156100  0.81054700  1
  F  F34  1  0.47207400  0.92504600  0.81063200  1
  F  F35  1  0.19334300  0.39998400  0.31912300  1
  F  F36  1  0.46978300  0.87638400  0.19677900  1
  F  F37  1  0.12069100  0.19301600  0.04384200  1
  F  F38  1  0.14273200  0.21513600  0.19764900  1
  F  F39  1  0.25871400  0.47183000  0.69268300  1
  F  F40  1  0.52821700  0.78691600  0.69269400  1
  F  F41  1  0.19299700  0.12068000  0.54383500  1
  F  F42  1  0.21490800  0.14245600  0.69761300  1
  F  F43  1  0.40654100  0.53008700  0.19680100  1
  F  F44  1  0.19192900  0.07311500  0.93211100  1
  F  F45  1  0.45458100  0.59454500  0.58179600  1
  F  F46  1  0.54954800  0.75045100  0.93008700  1
  F  F47  1  0.48047600  0.59007700  0.43170400  1
  F  F48  1  0.45301800  0.52810100  0.81070500  1
  F  F49  1  0.59997400  0.79334300  0.31914300  1
  F  F50  1  0.27153100  0.13239500  0.31053900  1
  F  F51  1  0.40002600  0.19337000  0.81914300  1
  F  F52  1  0.72846900  0.86086400  0.81053900  1
  F  F53  1  0.52792600  0.45297300  0.31063200  1
  F  F54  1  0.78509200  0.92754800  0.19761300  1
  F  F55  1  0.53021700  0.40660200  0.69677900  1
  F  F56  1  0.80700300  0.92768300  0.04383500  1
  F  F57  1  0.47178300  0.25869900  0.19269400  1
  F  F58  1  0.45045200  0.20090300  0.43008700  1
  F  F59  1  0.59011000  0.48062800  0.93166500  1
  F  F60  1  0.59449400  0.45453900  0.08178900  1
  F  F61  1  0.80807100  0.88118700  0.43211100  1
  F  F62  1  0.51952400  0.10960100  0.93170400  1
  F  F63  1  0.88106200  0.80799400  0.93211000  1
  F  F64  1  0.54541900  0.13996400  0.08179600  1
  F  F65  1  0.75056500  0.54947200  0.43011300  1
  F  F66  1  0.86088800  0.72848200  0.31053600  1
  F  F67  1  0.54698200  0.07508300  0.31070500  1
  F  F68  1  0.79316100  0.59998800  0.81921000  1
  F  F69  1  0.59346000  0.12354700  0.69680100  1
  F  F70  1  0.92770400  0.80698200  0.54383300  1
  F  F71  1  0.92749800  0.78510400  0.69762000  1
  F  F72  1  0.78684500  0.52819500  0.19266200  1
  F  F73  1  0.74128600  0.21311500  0.19268300  1
  F  F74  1  0.87630800  0.46975000  0.69676500  1
  F  F75  1  0.86009100  0.40550300  0.08177300  1
  F  F76  1  0.79898200  0.24942000  0.43011300  1
  F  F77  1  0.89040400  0.40991400  0.93166700  1
  F  F78  1  0.92497900  0.47190600  0.31069300  1
  F  F79  1  0.80665700  0.20664000  0.81912300  1
  F  F80  1  0.86762400  0.13918500  0.31054700  1
  F  F81  1  0.85726800  0.07240500  0.69764900  1
  F  F82  1  0.87930900  0.07232400  0.54384200  1
  F  F83  1  0.92687900  0.11885300  0.93209800  1
