# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91196400
_cell_length_b   7.97358585
_cell_length_c   21.26715075
_cell_angle_alpha   83.01047849
_cell_angle_beta   82.88734625
_cell_angle_gamma   89.06448116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li18 Fe18 F54'
_cell_volume   1154.43520690
_cell_formula_units_Z   18
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  0.74633800  0.70196500  0.86419900  1
  Li  Li1  1  0.89110300  0.29568700  0.29564800  1
  Li  Li2  1  0.66183100  0.39847700  0.65172700  1
  Li  Li3  1  0.74302600  0.31439200  0.44428800  1
  Li  Li4  1  0.82492700  0.99689100  0.08910900  1
  Li  Li5  1  0.53487000  0.43108600  0.79621000  1
  Li  Li6  1  0.38057800  0.28167100  0.98415800  1
  Li  Li7  1  0.69466200  0.02541100  0.23196700  1
  Li  Li8  1  0.51363800  0.86794200  0.42102100  1
  Li  Li9  1  0.48636200  0.13205800  0.57897900  1
  Li  Li10  1  0.30533800  0.97458900  0.76803300  1
  Li  Li11  1  0.61942200  0.71832900  0.01584200  1
  Li  Li12  1  0.46513000  0.56891400  0.20379000  1
  Li  Li13  1  0.17507300  0.00310900  0.91089100  1
  Li  Li14  1  0.25697400  0.68560800  0.55571200  1
  Li  Li15  1  0.33816900  0.60152300  0.34827300  1
  Li  Li16  1  0.10889700  0.70431300  0.70435200  1
  Li  Li17  1  0.25366200  0.29803500  0.13580100  1
  Fe  Fe18  1  0.89586500  0.35177100  0.96638800  1
  Fe  Fe19  1  0.94280300  0.01029700  0.58197300  1
  Fe  Fe20  1  0.80874900  0.04916400  0.73822800  1
  Fe  Fe21  1  0.99229800  0.67289600  0.18876700  1
  Fe  Fe22  1  0.76787600  0.69518900  0.50685800  1
  Fe  Fe23  1  0.60649100  0.04409600  0.89960700  1
  Fe  Fe24  1  0.84936300  0.68217900  0.34631900  1
  Fe  Fe25  1  0.58484900  0.76246100  0.66342700  1
  Fe  Fe26  1  0.76525000  0.36738700  0.13268600  1
  Fe  Fe27  1  0.23475000  0.63261300  0.86731400  1
  Fe  Fe28  1  0.41515100  0.23753900  0.33657300  1
  Fe  Fe29  1  0.15063700  0.31782100  0.65368100  1
  Fe  Fe30  1  0.39350900  0.95590400  0.10039300  1
  Fe  Fe31  1  0.23212400  0.30481100  0.49314200  1
  Fe  Fe32  1  0.00770200  0.32710400  0.81123300  1
  Fe  Fe33  1  0.19125100  0.95083600  0.26177200  1
  Fe  Fe34  1  0.05719700  0.98970300  0.41802700  1
  Fe  Fe35  1  0.10413500  0.64822900  0.03361200  1
  F  F36  1  0.97307100  0.16685400  0.90020800  1
  F  F37  1  0.94154400  0.52556500  0.87343500  1
  F  F38  1  0.90366700  0.86335700  0.67281200  1
  F  F39  1  0.80085900  0.92832300  0.82299900  1
  F  F40  1  0.96046100  0.17046800  0.48402400  1
  F  F41  1  0.86149100  0.21413300  0.64837100  1
  F  F42  1  0.64867600  0.80189900  0.93305800  1
  F  F43  1  0.96796300  0.52546700  0.28451200  1
  F  F44  1  0.73531400  0.25937300  0.79423500  1
  F  F45  1  0.85147400  0.53892300  0.43876600  1
  F  F46  1  0.89428700  0.85778900  0.25963300  1
  F  F47  1  0.63741500  0.29688900  0.93987500  1
  F  F48  1  0.73454500  0.60111900  0.59681500  1
  F  F49  1  0.79727800  0.88095500  0.42220000  1
  F  F50  1  0.66635300  0.94963300  0.57790800  1
  F  F51  1  0.52154700  0.61213200  0.84362900  1
  F  F52  1  0.54222900  0.97192000  0.70981900  1
  F  F53  1  0.57373300  0.53742000  0.71345600  1
  F  F54  1  0.88045800  0.22766500  0.06126700  1
  F  F55  1  0.81247600  0.23790600  0.22140200  1
  F  F56  1  0.69196500  0.25351100  0.36542100  1
  F  F57  1  0.82377000  0.55451800  0.02838400  1
  F  F58  1  0.72698600  0.61196400  0.17605400  1
  F  F59  1  0.38544700  0.98905200  0.84443300  1
  F  F60  1  0.52154900  0.27591200  0.50216400  1
  F  F61  1  0.64534200  0.92232100  0.04354200  1
  F  F62  1  0.43700300  0.29304200  0.63717400  1
  F  F63  1  0.56299700  0.70695800  0.36282600  1
  F  F64  1  0.35465800  0.07767900  0.95645800  1
  F  F65  1  0.47845100  0.72408800  0.49783600  1
  F  F66  1  0.61455300  0.01094800  0.15556700  1
  F  F67  1  0.27301400  0.38803600  0.82394600  1
  F  F68  1  0.17623000  0.44548200  0.97161600  1
  F  F69  1  0.30803500  0.74648900  0.63457900  1
  F  F70  1  0.18752400  0.76209400  0.77859800  1
  F  F71  1  0.11954200  0.77233500  0.93873300  1
  F  F72  1  0.42626700  0.46258000  0.28654400  1
  F  F73  1  0.45777100  0.02808000  0.29018100  1
  F  F74  1  0.47845300  0.38786800  0.15637100  1
  F  F75  1  0.33364700  0.05036700  0.42209200  1
  F  F76  1  0.20272200  0.11904500  0.57780000  1
  F  F77  1  0.26545500  0.39888100  0.40318500  1
  F  F78  1  0.36258500  0.70311100  0.06012500  1
  F  F79  1  0.10571300  0.14221100  0.74036700  1
  F  F80  1  0.14852600  0.46107700  0.56123400  1
  F  F81  1  0.26468600  0.74062700  0.20576500  1
  F  F82  1  0.03203700  0.47453300  0.71548800  1
  F  F83  1  0.35132400  0.19810100  0.06694200  1
  F  F84  1  0.13850900  0.78586700  0.35162900  1
  F  F85  1  0.03953900  0.82953200  0.51597600  1
  F  F86  1  0.19914100  0.07167700  0.17700100  1
  F  F87  1  0.09633300  0.13664300  0.32718800  1
  F  F88  1  0.05845600  0.47443500  0.12656500  1
  F  F89  1  0.02692900  0.83314600  0.09979200  1
