# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80141300
_cell_length_b   5.81477765
_cell_length_c   23.26951837
_cell_angle_alpha   89.96246625
_cell_angle_beta   89.95894415
_cell_angle_gamma   60.45980752
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li12 Fe12 F36'
_cell_volume   682.93351001
_cell_formula_units_Z   12
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  0.32422100  0.67892600  0.37652400  1
  Li  Li1  1  0.67703500  0.00467400  0.37627700  1
  Li  Li2  1  0.66310300  0.99598000  0.87320700  1
  Li  Li3  1  0.99642300  0.67529300  0.62353100  1
  Li  Li4  1  0.00435400  0.66576500  0.12725600  1
  Li  Li5  1  0.66569300  0.33792800  0.12740600  1
  Li  Li6  1  0.33430700  0.66207200  0.87259400  1
  Li  Li7  1  0.99564600  0.33423500  0.87274400  1
  Li  Li8  1  0.00357700  0.32470700  0.37646900  1
  Li  Li9  1  0.33689700  0.00402000  0.12679300  1
  Li  Li10  1  0.32296500  0.99532600  0.62372300  1
  Li  Li11  1  0.67577900  0.32107400  0.62347600  1
  Fe  Fe12  1  0.66682000  0.66471300  0.01467100  1
  Fe  Fe13  1  0.66503500  0.66161200  0.76212200  1
  Fe  Fe14  1  0.00332600  0.00406400  0.23955000  1
  Fe  Fe15  1  0.66825500  0.67328200  0.26777600  1
  Fe  Fe16  1  0.66680300  0.66636200  0.51590800  1
  Fe  Fe17  1  0.33319700  0.33363800  0.48409200  1
  Fe  Fe18  1  0.33174500  0.32671800  0.73222400  1
  Fe  Fe19  1  0.99667400  0.99593600  0.76045000  1
  Fe  Fe20  1  0.33496500  0.33838800  0.23787800  1
  Fe  Fe21  1  0.33318000  0.33528700  0.98532900  1
  Fe  Fe22  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe23  1  0.00000000  0.00000000  0.50000000  1
  F  F24  1  0.37992600  0.95390600  0.21150700  1
  F  F25  1  0.29650000  0.05021600  0.03887600  1
  F  F26  1  0.35474300  0.69462100  0.96039500  1
  F  F27  1  0.32436200  0.62250800  0.78828400  1
  F  F28  1  0.68511100  0.95824300  0.46261000  1
  F  F29  1  0.66427400  0.05421900  0.28774200  1
  F  F30  1  0.67231600  0.66570600  0.35606800  1
  F  F31  1  0.66805800  0.66250900  0.60712500  1
  F  F32  1  0.99730700  0.99877200  0.61578700  1
  F  F33  1  0.99752400  0.99791400  0.86272600  1
  F  F34  1  0.66689500  0.66535200  0.85604000  1
  F  F35  1  0.66814400  0.67427200  0.10369300  1
  F  F36  1  0.70341600  0.33993900  0.71141400  1
  F  F37  1  0.95522600  0.67999400  0.21207500  1
  F  F38  1  0.63759000  0.31253100  0.53776200  1
  F  F39  1  0.05647700  0.64362500  0.03930000  1
  F  F40  1  0.95504200  0.70570400  0.71204500  1
  F  F41  1  0.04599700  0.64249700  0.53744900  1
  F  F42  1  0.95400300  0.35750300  0.46255100  1
  F  F43  1  0.04495800  0.29429600  0.28795500  1
  F  F44  1  0.94352300  0.35637500  0.96070000  1
  F  F45  1  0.36241000  0.68746900  0.46223800  1
  F  F46  1  0.04477400  0.32000600  0.78792500  1
  F  F47  1  0.29658400  0.66006100  0.28858600  1
  F  F48  1  0.33185600  0.32572800  0.89630700  1
  F  F49  1  0.33310500  0.33464800  0.14396000  1
  F  F50  1  0.00247600  0.00208600  0.13727400  1
  F  F51  1  0.00269300  0.00122800  0.38421300  1
  F  F52  1  0.33194200  0.33749100  0.39287500  1
  F  F53  1  0.32768400  0.33429400  0.64393200  1
  F  F54  1  0.33572600  0.94578100  0.71225800  1
  F  F55  1  0.31488900  0.04175700  0.53739000  1
  F  F56  1  0.67563800  0.37749200  0.21171600  1
  F  F57  1  0.64525700  0.30537900  0.03960500  1
  F  F58  1  0.70350000  0.94978400  0.96112400  1
  F  F59  1  0.62007400  0.04609400  0.78849300  1
