# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.57564346
_cell_length_b   10.57564346
_cell_length_c   10.57564346
_cell_angle_alpha   108.72611642
_cell_angle_beta   108.72611642
_cell_angle_gamma   110.97193262
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li16 Fe16 F48'
_cell_volume   910.06902748
_cell_formula_units_Z   16
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  0.87767500  0.25509700  0.62391600  1
  Li  Li1  1  0.50000000  0.00000000  0.50000000  1
  Li  Li2  1  0.75509700  0.13118100  0.87742200  1
  Li  Li3  1  0.87500000  0.62500000  0.75000000  1
  Li  Li4  1  0.00000000  0.00000000  0.50000000  1
  Li  Li5  1  0.50000000  0.00000000  0.00000000  1
  Li  Li6  1  0.37500000  0.12500000  0.75000000  1
  Li  Li7  1  0.25375900  0.37767500  0.62257800  1
  Li  Li8  1  0.36881900  0.24624100  0.12391600  1
  Li  Li9  1  0.50000000  0.50000000  0.00000000  1
  Li  Li10  1  0.63118100  0.75375900  0.87608400  1
  Li  Li11  1  0.74624100  0.62232500  0.37742200  1
  Li  Li12  1  0.12500000  0.37500000  0.25000000  1
  Li  Li13  1  0.62500000  0.87500000  0.25000000  1
  Li  Li14  1  0.24490300  0.86881900  0.12257800  1
  Li  Li15  1  0.12232500  0.74490300  0.37608400  1
  Fe  Fe16  1  0.86946000  0.11946000  0.25000000  1
  Fe  Fe17  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe18  1  0.61946000  0.36946000  0.75000000  1
  Fe  Fe19  1  0.76105400  0.89814500  0.62547200  1
  Fe  Fe20  1  0.72732600  0.36441800  0.12547200  1
  Fe  Fe21  1  0.86441800  0.73894600  0.13709200  1
  Fe  Fe22  1  0.39814500  0.77267400  0.63709200  1
  Fe  Fe23  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe24  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe25  1  0.60185500  0.22732600  0.36290800  1
  Fe  Fe26  1  0.13558200  0.26105400  0.86290800  1
  Fe  Fe27  1  0.23894600  0.10185500  0.37452800  1
  Fe  Fe28  1  0.27267400  0.63558200  0.87452800  1
  Fe  Fe29  1  0.13054000  0.88054000  0.75000000  1
  Fe  Fe30  1  0.38054000  0.63054000  0.25000000  1
  Fe  Fe31  1  0.00000000  0.50000000  0.00000000  1
  F  F32  1  0.92658900  0.11187900  0.64634600  1
  F  F33  1  0.92827400  0.10472400  0.88435400  1
  F  F34  1  0.41531100  0.13912900  0.59148700  1
  F  F35  1  0.67793600  0.45203800  0.59232000  1
  F  F36  1  0.69719200  0.14845300  0.02397600  1
  F  F37  1  0.77675400  0.30828700  0.86610100  1
  F  F38  1  0.44218500  0.41065200  0.63389900  1
  F  F39  1  0.17617600  0.08468900  0.72381800  1
  F  F40  1  0.63912900  0.04764100  0.22381800  1
  F  F41  1  0.12447700  0.17321600  0.47602400  1
  F  F42  1  0.85971800  0.58561600  0.90768000  1
  F  F43  1  0.95203800  0.35971800  0.27410200  1
  F  F44  1  0.91438400  0.82206400  0.77410200  1
  F  F45  1  0.54764100  0.32382400  0.90851300  1
  F  F46  1  0.53446800  0.21975700  0.14634600  1
  F  F47  1  0.60472400  0.72037000  0.67645000  1
  F  F48  1  0.95608000  0.57172600  0.17645000  1
  F  F49  1  0.91065200  0.27675400  0.46846700  1
  F  F50  1  0.19171300  0.05781500  0.96846700  1
  F  F51  1  0.67321600  0.19719200  0.54873900  1
  F  F52  1  0.35154700  0.37552200  0.04873900  1
  F  F53  1  0.22037000  0.54392000  0.61564600  1
  F  F54  1  0.38812100  0.03446800  0.31471100  1
  F  F55  1  0.28024300  0.42658900  0.81471100  1
  F  F56  1  0.71975700  0.57341100  0.18528900  1
  F  F57  1  0.61187900  0.96553200  0.68528900  1
  F  F58  1  0.77963000  0.45608000  0.38435400  1
  F  F59  1  0.32678400  0.80280800  0.45126100  1
  F  F60  1  0.64845300  0.62447700  0.95126100  1
  F  F61  1  0.08934800  0.72324600  0.53153300  1
  F  F62  1  0.80828700  0.94218500  0.03153300  1
  F  F63  1  0.04392000  0.42827400  0.82355000  1
  F  F64  1  0.39527600  0.27963000  0.32355000  1
  F  F65  1  0.46553200  0.78024300  0.85365400  1
  F  F66  1  0.45235900  0.67617600  0.09148700  1
  F  F67  1  0.04796200  0.64028200  0.72589800  1
  F  F68  1  0.08561600  0.17793600  0.22589800  1
  F  F69  1  0.14028200  0.41438400  0.09232000  1
  F  F70  1  0.87552300  0.82678400  0.52397600  1
  F  F71  1  0.36087100  0.95235900  0.77618200  1
  F  F72  1  0.82382400  0.91531100  0.27618200  1
  F  F73  1  0.55781500  0.58934800  0.36610100  1
  F  F74  1  0.22324600  0.69171300  0.13389900  1
  F  F75  1  0.30280800  0.85154700  0.97602400  1
  F  F76  1  0.32206400  0.54796200  0.40768000  1
  F  F77  1  0.58468900  0.86087100  0.40851300  1
  F  F78  1  0.07172600  0.89527600  0.11564600  1
  F  F79  1  0.07341100  0.88812100  0.35365400  1
