# generated using pymatgen
data_Li3CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24155345
_cell_length_b   8.24038048
_cell_length_c   9.81728260
_cell_angle_alpha   85.51589972
_cell_angle_beta   85.51038595
_cell_angle_gamma   61.77781532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuF6
_chemical_formula_sum   'Li18 Cu6 F36'
_cell_volume   585.02015289
_cell_formula_units_Z   6
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  0.93999479  0.65740451  0.43351542  1
  Li  Li1  1  0.99409468  0.29673344  0.23195913  1
  Li  Li2  1  0.65734990  0.94001839  0.93346045  1
  Li  Li3  1  0.86744706  0.46783850  0.95031797  1
  Li  Li4  1  0.46895117  0.86633360  0.45041686  1
  Li  Li5  1  0.67370912  0.36424716  0.46569719  1
  Li  Li6  1  0.81614956  0.18407516  0.75019315  1
  Li  Li7  1  0.63568939  0.32628364  0.03439221  1
  Li  Li8  1  0.70316406  0.00586638  0.26818943  1
  Li  Li9  1  0.29689669  0.99411541  0.73178137  1
  Li  Li10  1  0.36430668  0.67371934  0.96560514  1
  Li  Li11  1  0.18385065  0.81592764  0.24985475  1
  Li  Li12  1  0.32630427  0.63575051  0.53429237  1
  Li  Li13  1  0.53095150  0.13375254  0.54956539  1
  Li  Li14  1  0.13252763  0.53219036  0.04968532  1
  Li  Li15  1  0.34264839  0.05998412  0.06653309  1
  Li  Li16  1  0.00591373  0.70322926  0.76805452  1
  Li  Li17  1  0.06000316  0.34259338  0.56648649  1
  Cu  Cu18  1  0.00002695  -0.00002003  0.00000107  1
  Cu  Cu19  1  0.65835326  0.66494141  0.20667746  1
  Cu  Cu20  1  -0.00001335  -0.00000219  0.50000113  1
  Cu  Cu21  1  0.66507792  0.65848764  0.70674904  1
  Cu  Cu22  1  0.33491797  0.34150707  0.29323631  1
  Cu  Cu23  1  0.34165465  0.33507293  0.79332887  1
  F  F24  1  0.93226219  0.91850855  0.16846455  1
  F  F25  1  0.91864413  0.93233674  0.66850620  1
  F  F26  1  0.89439199  0.56919322  0.11550227  1
  F  F27  1  0.89851635  0.58345031  0.61221359  1
  F  F28  1  0.72565652  0.77013566  0.34477011  1
  F  F29  1  0.77036414  0.72558380  0.84485916  1
  F  F30  1  0.91494522  0.24009973  0.06411194  1
  F  F31  1  0.58344231  0.89845815  0.11214276  1
  F  F32  1  0.75409371  0.43809814  0.30577701  1
  F  F33  1  0.90537936  0.23908048  0.56587990  1
  F  F34  1  0.56936758  0.89453247  0.61553349  1
  F  F35  1  0.75223378  0.42910682  0.80515026  1
  F  F36  1  0.59027025  0.57339180  0.06255919  1
  F  F37  1  0.75979475  0.08506892  0.43609350  1
  F  F38  1  0.42907283  0.75202283  0.30506048  1
  F  F39  1  0.57334557  0.59054114  0.56259198  1
  F  F40  1  0.76092662  0.09460920  0.93413814  1
  F  F41  1  0.43813032  0.75421873  0.80574226  1
  F  F42  1  0.56187532  0.24576917  0.19426150  1
  F  F43  1  0.23909737  0.90537971  0.06587042  1
  F  F44  1  0.42665156  0.40944827  0.43739731  1
  F  F45  1  0.57092923  0.24796545  0.69495322  1
  F  F46  1  0.24018414  0.91494177  0.56389763  1
  F  F47  1  0.40972800  0.42663959  0.93744313  1
  F  F48  1  0.24778725  0.57088027  0.19484303  1
  F  F49  1  0.43059039  0.10547735  0.38445686  1
  F  F50  1  0.09459864  0.76092115  0.43411815  1
  F  F51  1  0.24590566  0.56190669  0.69420826  1
  F  F52  1  0.41655607  0.10154774  0.88784782  1
  F  F53  1  0.08509478  0.75986586  0.93589823  1
  F  F54  1  0.22962951  0.27440881  0.15514466  1
  F  F55  1  0.27434591  0.22989076  0.65522437  1
  F  F56  1  0.10148830  0.41655105  0.38779899  1
  F  F57  1  0.10561363  0.43079470  0.88451584  1
  F  F58  1  0.08134742  0.06765738  0.33151363  1
  F  F59  1  0.06777135  0.08146842  0.83151906  1
