# generated using pymatgen
data_Li3(Nb2Cl5)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.20012205
_cell_length_b   18.14291195
_cell_length_c   18.20086386
_cell_angle_alpha   109.40078570
_cell_angle_beta   109.52885293
_cell_angle_gamma   109.41865679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3(Nb2Cl5)8
_chemical_formula_sum   'Li9 Nb48 Cl120'
_cell_volume   4630.21099497
_cell_formula_units_Z   3
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  0.24969894  0.41412729  0.16392560  1
  Li  Li1  1  0.58562463  0.24984776  0.83551484  1
  Li  Li2  1  0.41336021  0.16357429  0.24949661  1
  Li  Li3  1  0.80766392  0.75089504  0.55811651  1
  Li  Li4  1  0.94356507  0.75062380  0.69384105  1
  Li  Li5  1  0.75029577  0.19272457  0.44306081  1
  Li  Li6  1  0.80732316  0.55691303  0.24950939  1
  Li  Li7  1  0.94334343  0.69308477  0.24984292  1
  Li  Li8  1  0.74994828  0.05691122  0.30678924  1
  Nb  Nb9  1  0.02551501  0.48281307  0.89199940  1
  Nb  Nb10  1  0.10987997  0.97688187  0.51894238  1
  Nb  Nb11  1  0.02018371  0.47554262  0.60983089  1
  Nb  Nb12  1  0.10985905  0.63312151  0.59092436  1
  Nb  Nb13  1  0.09150314  0.45722502  0.48394276  1
  Nb  Nb14  1  0.39203310  0.90894764  0.86625474  1
  Nb  Nb15  1  0.09152059  0.13447186  0.60773904  1
  Nb  Nb16  1  0.02044398  0.04463964  0.41035011  1
  Nb  Nb17  1  0.39099778  0.98065053  0.52381167  1
  Nb  Nb18  1  0.13229789  0.60873012  0.08950087  1
  Nb  Nb19  1  0.04190702  0.41170111  0.01630590  1
  Nb  Nb20  1  0.36651000  0.41021753  0.89088686  1
  Nb  Nb21  1  0.58945437  0.98067065  0.95642218  1
  Nb  Nb22  1  0.02408790  0.04237715  0.13290057  1
  Nb  Nb23  1  0.04121409  0.13032099  0.02554849  1
  Nb  Nb24  1  0.40887808  0.89095994  0.36710042  1
  Nb  Nb25  1  0.51613239  0.90867761  0.54208706  1
  Nb  Nb26  1  0.36679724  0.45768358  0.47640834  1
  Nb  Nb27  1  0.52214159  0.39352646  0.98121660  1
  Nb  Nb28  1  0.54093720  0.51782136  0.90856181  1
  Nb  Nb29  1  0.12953343  0.02388950  0.04227884  1
  Nb  Nb30  1  0.52260600  0.63263927  0.54281482  1
  Nb  Nb31  1  0.54206744  0.52564391  0.63360584  1
  Nb  Nb32  1  0.51657437  0.10444081  0.97406816  1
  Nb  Nb33  1  0.48100246  0.89004356  0.02216970  1
  Nb  Nb34  1  0.45844484  0.47672504  0.37108739  1
  Nb  Nb35  1  0.47440350  0.36992334  0.45915087  1
  Nb  Nb36  1  0.86692424  0.97488684  0.95845685  1
  Nb  Nb37  1  0.45725792  0.48287956  0.08734563  1
  Nb  Nb38  1  0.47399511  0.60761703  0.01642815  1
  Nb  Nb39  1  0.62854303  0.54200722  0.52582362  1
  Nb  Nb40  1  0.48084887  0.08752617  0.45851128  1
  Nb  Nb41  1  0.58774212  0.10465528  0.62968725  1
  Nb  Nb42  1  0.95782985  0.86809005  0.97746596  1
  Nb  Nb43  1  0.97463551  0.95845137  0.87181596  1
  Nb  Nb44  1  0.41061495  0.01547596  0.04022905  1
  Nb  Nb45  1  0.62807884  0.58750614  0.10277784  1
  Nb  Nb46  1  0.95852002  0.59066226  0.98080802  1
  Nb  Nb47  1  0.86980400  0.39504080  0.91069205  1
  Nb  Nb48  1  0.60294836  0.01522518  0.47451026  1
  Nb  Nb49  1  0.98529988  0.95867420  0.58816978  1
  Nb  Nb50  1  0.91396030  0.87166154  0.39572189  1
  Nb  Nb51  1  0.60374222  0.08626443  0.12741328  1
  Nb  Nb52  1  0.91408942  0.54271130  0.51842346  1
  Nb  Nb53  1  0.89759131  0.37046172  0.41392529  1
  Nb  Nb54  1  0.98528690  0.52652131  0.39735130  1
  Nb  Nb55  1  0.89751967  0.02695978  0.48372400  1
  Nb  Nb56  1  0.97593510  0.51734322  0.10387902  1
  Cl  Cl57  1  0.12500940  0.98429580  0.89586852  1
  Cl  Cl58  1  0.02368072  0.70935984  0.62763948  1
  Cl  Cl59  1  0.10612592  0.92139863  0.62629839  1
  Cl  Cl60  1  0.02351229  0.81476515  0.39617201  1
  Cl  Cl61  1  0.05141948  0.44866699  0.74988287  1
  Cl  Cl62  1  0.07830690  0.37431931  0.89487497  1
  Cl  Cl63  1  0.18367484  0.60581733  0.97937275  1
  Cl  Cl64  1  0.26962960  0.91068105  0.89585798  1
  Cl  Cl65  1  0.14192516  0.62716209  0.73045810  1
  Cl  Cl66  1  0.01477591  0.10336956  0.87393097  1
  Cl  Cl67  1  0.10601040  0.68465100  0.47966612  1
  Cl  Cl68  1  0.25022256  0.94876398  0.55104636  1
  Cl  Cl69  1  0.24974036  0.80089482  0.69843752  1
  Cl  Cl70  1  0.12744300  0.42087560  0.60619596  1
  Cl  Cl71  1  0.08837993  0.48527272  0.35945840  1
  Cl  Cl72  1  0.10350378  0.87303383  0.01491027  1
  Cl  Cl73  1  0.08852937  0.10324854  0.72928536  1
  Cl  Cl74  1  0.35732780  0.76823250  0.87223915  1
  Cl  Cl75  1  0.01490721  0.41166926  0.14111171  1
  Cl  Cl76  1  0.10372029  0.73145554  0.08893501  1
  Cl  Cl77  1  0.23062344  0.60361229  0.58853842  1
  Cl  Cl78  1  0.12563453  0.64130315  0.22998320  1
  Cl  Cl79  1  0.29570727  0.37349453  0.97861777  1
  Cl  Cl80  1  0.31620998  0.52107065  0.89435249  1
  Cl  Cl81  1  0.19902073  0.30185866  0.75032484  1
  Cl  Cl82  1  0.26880322  0.85782510  0.37269035  1
  Cl  Cl83  1  0.12739912  0.20640247  0.52134163  1
  Cl  Cl84  1  0.39424708  0.87356115  0.57811328  1
  Cl  Cl85  1  0.19963735  0.39751605  0.44890345  1
  Cl  Cl86  1  0.05133654  0.10269053  0.30165219  1
  Cl  Cl87  1  0.47902466  0.87340950  0.79541591  1
  Cl  Cl88  1  0.37352429  0.97915597  0.29589588  1
  Cl  Cl89  1  0.07797788  0.20407465  0.18352966  1
  Cl  Cl90  1  0.58910551  0.85777699  0.98545577  1
  Cl  Cl91  1  0.23096927  0.12724151  0.64228844  1
  Cl  Cl92  1  0.10348960  0.30211227  0.05103295  1
  Cl  Cl93  1  0.30085655  0.74989570  0.19862603  1
  Cl  Cl94  1  0.20629319  0.52158348  0.12723618  1
  Cl  Cl95  1  0.37277845  0.26935396  0.85782722  1
  Cl  Cl96  1  0.51490330  0.64230053  0.91100228  1
  Cl  Cl97  1  0.37196491  0.60362692  0.51455028  1
  Cl  Cl98  1  0.14232418  0.01464700  0.41139842  1
  Cl  Cl99  1  0.39604244  0.41079619  0.76881574  1
  Cl  Cl100  1  0.41082996  0.76885804  0.39614156  1
  Cl  Cl101  1  0.39600938  0.48507168  0.62715629  1
  Cl  Cl102  1  0.29383374  0.42118209  0.31524282  1
  Cl  Cl103  1  0.37419725  0.89423957  0.07795617  1
  Cl  Cl104  1  0.31635443  0.29593520  0.42178165  1
  Cl  Cl105  1  0.69830422  0.94865989  0.89747350  1
  Cl  Cl106  1  0.55102286  0.80061735  0.60248180  1
  Cl  Cl107  1  0.18302702  0.07765827  0.20436524  1
  Cl  Cl108  1  0.57799623  0.68388088  0.70442343  1
  Cl  Cl109  1  0.39463126  0.02052954  0.81648827  1
  Cl  Cl110  1  0.52033998  0.89464094  0.31661352  1
  Cl  Cl111  1  0.20373200  0.18284408  0.07779434  1
  Cl  Cl112  1  0.48514348  0.62713794  0.39661980  1
  Cl  Cl113  1  0.60217370  0.55123767  0.80126063  1
  Cl  Cl114  1  0.55228816  0.25113841  0.94893681  1
  Cl  Cl115  1  0.57883438  0.39382087  0.87259139  1
  Cl  Cl116  1  0.35773832  0.08853745  0.48506066  1
  Cl  Cl117  1  0.64121018  0.91110659  0.51478503  1
  Cl  Cl118  1  0.42199619  0.60538481  0.12567684  1
  Cl  Cl119  1  0.44866917  0.75019829  0.05101913  1
  Cl  Cl120  1  0.39674309  0.44782721  0.19901925  1
  Cl  Cl121  1  0.51479091  0.37359539  0.60388315  1
  Cl  Cl122  1  0.79575111  0.81603498  0.92213370  1
  Cl  Cl123  1  0.47842469  0.10565971  0.68465041  1
  Cl  Cl124  1  0.60342057  0.97667755  0.18394565  1
  Cl  Cl125  1  0.42092335  0.31538364  0.29413746  1
  Cl  Cl126  1  0.81664515  0.92187667  0.79633223  1
  Cl  Cl127  1  0.44765049  0.19835586  0.39665102  1
  Cl  Cl128  1  0.30194188  0.05089085  0.10332482  1
  Cl  Cl129  1  0.68397097  0.70757316  0.58073317  1
  Cl  Cl130  1  0.62642336  0.10525273  0.92222129  1
  Cl  Cl131  1  0.70354277  0.57808819  0.68326784  1
  Cl  Cl132  1  0.60443121  0.51571498  0.37494051  1
  Cl  Cl133  1  0.58830063  0.22967830  0.60316896  1
  Cl  Cl134  1  0.60418142  0.58856365  0.22903532  1
  Cl  Cl135  1  0.85982815  0.98470501  0.58821948  1
  Cl  Cl136  1  0.62593120  0.39684751  0.48515833  1
  Cl  Cl137  1  0.48494926  0.35871355  0.08860982  1
  Cl  Cl138  1  0.62660042  0.73008290  0.14108977  1
  Cl  Cl139  1  0.79627687  0.47995135  0.87411533  1
  Cl  Cl140  1  0.69795370  0.24905866  0.80136361  1
  Cl  Cl141  1  0.89790148  0.69866173  0.94898992  1
  Cl  Cl142  1  0.77161754  0.87498216  0.35975580  1
  Cl  Cl143  1  0.41163406  0.14094143  0.01488888  1
  Cl  Cl144  1  0.91915870  0.79254425  0.81604497  1
  Cl  Cl145  1  0.62552827  0.02025613  0.70362343  1
  Cl  Cl146  1  0.52138303  0.12703102  0.20604591  1
  Cl  Cl147  1  0.80663446  0.61348369  0.55673018  1
  Cl  Cl148  1  0.94312336  0.88635502  0.69303623  1
  Cl  Cl149  1  0.60317792  0.12652548  0.41942373  1
  Cl  Cl150  1  0.87311269  0.79157493  0.47669544  1
  Cl  Cl151  1  0.72940377  0.14047718  0.62483406  1
  Cl  Cl152  1  0.80677250  0.69331173  0.24997800  1
  Cl  Cl153  1  0.68375870  0.47670213  0.10308795  1
  Cl  Cl154  1  0.70358763  0.62563484  0.02000139  1
  Cl  Cl155  1  0.87366316  0.35891076  0.76991130  1
  Cl  Cl156  1  0.77204739  0.39685998  0.41207660  1
  Cl  Cl157  1  0.89628035  0.27048050  0.91139776  1
  Cl  Cl158  1  0.98542040  0.58919532  0.85743551  1
  Cl  Cl159  1  0.64114727  0.22948740  0.12621064  1
  Cl  Cl160  1  0.91171713  0.89637260  0.27080969  1
  Cl  Cl161  1  0.89633392  0.12654721  0.98517864  1
  Cl  Cl162  1  0.91179601  0.51517147  0.64066360  1
  Cl  Cl163  1  0.87316580  0.58181513  0.39627914  1
  Cl  Cl164  1  0.74987570  0.19314602  0.30657644  1
  Cl  Cl165  1  0.74982490  0.05668700  0.44317031  1
  Cl  Cl166  1  0.89640581  0.31399283  0.52343199  1
  Cl  Cl167  1  0.98506652  0.89604694  0.12785287  1
  Cl  Cl168  1  0.86007363  0.37528350  0.27206394  1
  Cl  Cl169  1  0.72981674  0.08850600  0.10416714  1
  Cl  Cl170  1  0.81721431  0.39510593  0.02096278  1
  Cl  Cl171  1  0.91943977  0.62681033  0.10333731  1
  Cl  Cl172  1  0.94316870  0.55675858  0.24991381  1
  Cl  Cl173  1  0.97972027  0.18448855  0.60548193  1
  Cl  Cl174  1  0.89647984  0.08191588  0.37322036  1
  Cl  Cl175  1  0.97994214  0.29514698  0.37433371  1
  Cl  Cl176  1  0.87295740  0.01472635  0.10411746  1
