# generated using pymatgen
data_LiC2S2NO5F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54899712
_cell_length_b   11.59879284
_cell_length_c   18.49541298
_cell_angle_alpha   100.38451416
_cell_angle_beta   90.07918826
_cell_angle_gamma   99.87001005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiC2S2NO5F6
_chemical_formula_sum   'Li8 C16 S16 N8 O40 F48'
_cell_volume   1984.01523166
_cell_formula_units_Z   8
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  -0.00000000  -0.00000000  -0.00000000  1
  Li  Li1  1  0.50000000  -0.00000000  -0.00000000  1
  Li  Li2  1  0.53901531  0.00820033  0.79883689  1
  Li  Li3  1  0.46098469  0.99179967  0.20116311  1
  Li  Li4  1  0.50000000  -0.00000000  0.50000000  1
  Li  Li5  1  -0.00000000  -0.00000000  0.50000000  1
  Li  Li6  1  0.03919805  0.01036638  0.70148120  1
  Li  Li7  1  0.96080195  0.98963362  0.29851880  1
  C  C8  1  0.19664958  0.65148262  0.94670239  1
  C  C9  1  0.80335042  0.34851738  0.05329761  1
  C  C10  1  0.18326193  0.69306716  0.71777960  1
  C  C11  1  0.81673807  0.30693284  0.28222040  1
  C  C12  1  0.43139303  0.33330964  0.75863387  1
  C  C13  1  0.56860697  0.66669036  0.24136613  1
  C  C14  1  0.34186142  0.30770289  0.98334705  1
  C  C15  1  0.65813858  0.69229711  0.01665295  1
  C  C16  1  0.68487408  0.68933898  0.71116116  1
  C  C17  1  0.31512592  0.31066102  0.28883884  1
  C  C18  1  0.70440513  0.65045502  0.47157623  1
  C  C19  1  0.29559487  0.34954498  0.52842377  1
  C  C20  1  0.92830912  0.33331519  0.81614892  1
  C  C21  1  0.07169088  0.66668481  0.18385108  1
  C  C22  1  0.83652471  0.30721062  0.58351652  1
  C  C23  1  0.16347529  0.69278938  0.41648348  1
  S  S24  1  0.20062035  0.81049606  0.93743807  1
  S  S25  1  0.79937965  0.18950394  0.06256193  1
  S  S26  1  0.22556140  0.83427018  0.78788791  1
  S  S27  1  0.77443860  0.16572982  0.21211209  1
  S  S28  1  0.33137323  0.18180472  0.76537500  1
  S  S29  1  0.66862677  0.81819528  0.23462500  1
  S  S30  1  0.30461472  0.16050936  0.91800181  1
  S  S31  1  0.69538528  0.83949064  0.08199819  1
  S  S32  1  0.72559149  0.83076114  0.67296266  1
  S  S33  1  0.27440851  0.16923886  0.32703734  1
  S  S34  1  0.70229816  0.80835178  0.51815986  1
  S  S35  1  0.29770184  0.19164822  0.48184014  1
  S  S36  1  0.82898292  0.18212165  0.77402058  1
  S  S37  1  0.17101708  0.81787835  0.22597942  1
  S  S38  1  0.80389152  0.16059657  0.61682989  1
  S  S39  1  0.19610848  0.83940343  0.38317011  1
  N  N40  1  0.14100688  0.80047512  0.85658478  1
  N  N41  1  0.85899312  0.19952488  0.14341522  1
  N  N42  1  0.27030085  0.20162965  0.84494997  1
  N  N43  1  0.72969915  0.79837035  0.15505003  1
  N  N44  1  0.64230838  0.79473768  0.59611581  1
  N  N45  1  0.35769162  0.20526232  0.40388419  1
  N  N46  1  0.76753800  0.20208537  0.69885976  1
  N  N47  1  0.23246200  0.79791463  0.30114024  1
  O  O48  1  0.34856470  0.86580751  0.95300843  1
  O  O49  1  0.65143530  0.13419249  0.04699157  1
  O  O50  1  0.09641036  0.85184930  0.98830327  1
  O  O51  1  0.90358964  0.14815070  0.01169673  1
  O  O52  1  0.15858118  0.91757909  0.75622915  1
  O  O53  1  0.84141882  0.08242091  0.24377085  1
  O  O54  1  0.37941867  0.85947314  0.79742292  1
  O  O55  1  0.62058133  0.14052686  0.20257708  1
  O  O56  1  0.21677631  0.15988620  0.71071048  1
  O  O57  1  0.78322369  0.84011380  0.28928952  1
  O  O58  1  0.43596467  0.10412036  0.75297247  1
  O  O59  1  0.56403533  0.89587964  0.24702753  1
  O  O60  1  0.43342677  0.10829632  0.92021996  1
  O  O61  1  0.56657323  0.89170368  0.07978004  1
  O  O62  1  0.17797704  0.09683774  0.94593274  1
  O  O63  1  0.82202296  0.90316226  0.05406726  1
  O  O64  1  0.65633906  0.91304434  0.72288666  1
  O  O65  1  0.34366094  0.08695566  0.27711334  1
  O  O66  1  0.87937582  0.85855134  0.66997246  1
  O  O67  1  0.12062418  0.14144866  0.33002754  1
  O  O68  1  0.84938483  0.86657291  0.51641278  1
  O  O69  1  0.15061517  0.13342709  0.48358722  1
  O  O70  1  0.59697155  0.84902579  0.47685302  1
  O  O71  1  0.40302845  0.15097421  0.52314698  1
  O  O72  1  0.71466227  0.15873806  0.82347982  1
  O  O73  1  0.28533773  0.84126194  0.17652018  1
  O  O74  1  0.93459354  0.10528893  0.76864298  1
  O  O75  1  0.06540646  0.89471107  0.23135702  1
  O  O76  1  0.67880182  0.09411065  0.57405156  1
  O  O77  1  0.32119818  0.90588935  0.42594844  1
  O  O78  1  0.93440323  0.11057423  0.60395411  1
  O  O79  1  0.06559677  0.88942577  0.39604589  1
  O  O80  1  0.80100787  0.93118755  0.89930549  1
  O  O81  1  0.19899213  0.06881245  0.10069451  1
  O  O82  1  0.68104103  0.95572436  0.89776901  1
  O  O83  1  0.31895897  0.04427564  0.10223099  1
  O  O84  1  0.30437060  0.93264646  0.58729118  1
  O  O85  1  0.69562940  0.06735354  0.41270882  1
  O  O86  1  0.18250294  0.95352610  0.59089610  1
  O  O87  1  0.81749706  0.04647390  0.40910390  1
  F  F88  1  0.06217511  0.59156183  0.93638816  1
  F  F89  1  0.93782489  0.40843817  0.06361184  1
  F  F90  1  0.27973994  0.60082378  0.89582577  1
  F  F91  1  0.72026006  0.39917622  0.10417423  1
  F  F92  1  0.24657004  0.64725957  0.01409973  1
  F  F93  1  0.75342996  0.35274043  0.98590027  1
  F  F94  1  0.23909622  0.60480571  0.73837157  1
  F  F95  1  0.76090378  0.39519429  0.26162843  1
  F  F96  1  0.04146376  0.65930902  0.70812017  1
  F  F97  1  0.95853624  0.34069098  0.29187983  1
  F  F98  1  0.23987922  0.71540759  0.65358054  1
  F  F99  1  0.76012078  0.28459241  0.34641946  1
  F  F100  1  0.48277400  0.33116711  0.69067445  1
  F  F101  1  0.51722600  0.66883289  0.30932555  1
  F  F102  1  0.34361211  0.41353367  0.77156639  1
  F  F103  1  0.65638789  0.58646633  0.22843361  1
  F  F104  1  0.54074975  0.36506223  0.80839618  1
  F  F105  1  0.45925025  0.63493777  0.19160382  1
  F  F106  1  0.44630490  0.38223172  0.95814720  1
  F  F107  1  0.55369510  0.61776828  0.04185280  1
  F  F108  1  0.22394896  0.35730088  0.99113632  1
  F  F109  1  0.77605104  0.64269912  0.00886368  1
  F  F110  1  0.38324151  0.28901573  0.04973262  1
  F  F111  1  0.61675849  0.71098427  0.95026738  1
  F  F112  1  0.54314999  0.65405836  0.71237132  1
  F  F113  1  0.45685001  0.34594164  0.28762868  1
  F  F114  1  0.74025368  0.71251094  0.78070750  1
  F  F115  1  0.25974632  0.28748906  0.21929250  1
  F  F116  1  0.74256954  0.60157357  0.67115765  1
  F  F117  1  0.25743046  0.39842643  0.32884235  1
  F  F118  1  0.76187537  0.64955702  0.40504920  1
  F  F119  1  0.23812463  0.35044298  0.59495080  1
  F  F120  1  0.57115401  0.58817110  0.46371176  1
  F  F121  1  0.42884599  0.41182890  0.53628824  1
  F  F122  1  0.78425451  0.59951441  0.51282714  1
  F  F123  1  0.21574549  0.40048559  0.48717286  1
  F  F124  1  0.98289582  0.32751850  0.88233678  1
  F  F125  1  0.01710418  0.67248150  0.11766322  1
  F  F126  1  0.03521589  0.36711763  0.77281434  1
  F  F127  1  0.96478411  0.63288237  0.22718566  1
  F  F128  1  0.84043063  0.41386012  0.82444095  1
  F  F129  1  0.15956937  0.58613988  0.17555905  1
  F  F130  1  0.88342698  0.28849486  0.51394917  1
  F  F131  1  0.11657302  0.71150514  0.48605083  1
  F  F132  1  0.71480412  0.35070083  0.58332118  1
  F  F133  1  0.28519588  0.64929917  0.41667882  1
  F  F134  1  0.93499899  0.38681128  0.62675919  1
  F  F135  1  0.06500101  0.61318872  0.37324081  1
