# generated using pymatgen
data_LiCu2Si12(H3C)27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.60950769
_cell_length_b   14.26673347
_cell_length_c   17.85671741
_cell_angle_alpha   95.98649345
_cell_angle_beta   99.27167791
_cell_angle_gamma   118.01062989
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2Si12(H3C)27
_chemical_formula_sum   'Li2 Cu4 Si24 H162 C54'
_cell_volume   2955.85572672
_cell_formula_units_Z   2
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  0.88715397  0.05096119  0.23807937  1
  Li  Li1  1  0.11284603  0.94903881  0.76192063  1
  Cu  Cu2  1  0.69075769  0.99715534  0.26496904  1
  Cu  Cu3  1  0.30924231  0.00284466  0.73503096  1
  Cu  Cu4  1  0.80437253  0.18256521  0.24475779  1
  Cu  Cu5  1  0.19562747  0.81743479  0.75524221  1
  Si  Si6  1  0.63064298  0.78027074  0.37051442  1
  Si  Si7  1  0.36935702  0.21972926  0.62948558  1
  Si  Si8  1  0.59880392  0.70936908  0.15083733  1
  Si  Si9  1  0.40119608  0.29063092  0.84916267  1
  Si  Si10  1  0.87593118  0.80731306  0.29525296  1
  Si  Si11  1  0.12406882  0.19268694  0.70474704  1
  Si  Si12  1  0.12401119  0.30547027  0.33282936  1
  Si  Si13  1  0.87598881  0.69452973  0.66717064  1
  Si  Si14  1  0.04916668  0.46280629  0.19736395  1
  Si  Si15  1  0.95083332  0.53719371  0.80263605  1
  Si  Si16  1  0.00781356  0.19104689  0.11221126  1
  Si  Si17  1  0.99218644  0.80895311  0.88778874  1
  Si  Si18  1  0.42432121  0.01391477  0.28799763  1
  Si  Si19  1  0.57567879  0.98608523  0.71200237  1
  Si  Si20  1  0.56446049  0.17724073  0.14829220  1
  Si  Si21  1  0.43553951  0.82275927  0.85170780  1
  Si  Si22  1  0.69665329  0.27092327  0.37743195  1
  Si  Si23  1  0.30334671  0.72907673  0.62256805  1
  Si  Si24  1  0.71882054  0.84309713  0.26651576  1
  Si  Si25  1  0.28117946  0.15690287  0.73348424  1
  Si  Si26  1  0.98604604  0.28351037  0.22220395  1
  Si  Si27  1  0.01395396  0.71648963  0.77779605  1
  Si  Si28  1  0.61244844  0.12268452  0.26628631  1
  Si  Si29  1  0.38755156  0.87731548  0.73371369  1
  H  H30  1  0.59786584  0.64821125  0.45512752  1
  H  H31  1  0.40213416  0.35178875  0.54487248  1
  H  H32  1  0.58602169  0.58558177  0.36029760  1
  H  H33  1  0.41397831  0.41441823  0.63970240  1
  H  H34  1  0.72364166  0.67462097  0.42317555  1
  H  H35  1  0.27635834  0.32537903  0.57682445  1
  H  H36  1  0.66495749  0.86514282  0.50815676  1
  H  H37  1  0.33504251  0.13485718  0.49184324  1
  H  H38  1  0.79380550  0.92713590  0.47582907  1
  H  H39  1  0.20619450  0.07286410  0.52417093  1
  H  H40  1  0.68607609  0.96204827  0.44822421  1
  H  H41  1  0.31392391  0.03795173  0.55177579  1
  H  H42  1  0.43620523  0.71513376  0.39401026  1
  H  H43  1  0.56379477  0.28486624  0.60598974  1
  H  H44  1  0.45749739  0.79924557  0.32459376  1
  H  H45  1  0.54250261  0.20075443  0.67540624  1
  H  H46  1  0.42588268  0.66323289  0.29632715  1
  H  H47  1  0.57411732  0.33676711  0.70367285  1
  H  H48  1  0.43684919  0.68396901  0.04789794  1
  H  H49  1  0.56315081  0.31603099  0.95210206  1
  H  H50  1  0.42898154  0.73766942  0.13974913  1
  H  H51  1  0.57101846  0.26233058  0.86025087  1
  H  H52  1  0.52852906  0.82447057  0.09093103  1
  H  H53  1  0.47147094  0.17552943  0.90906897  1
  H  H54  1  0.46321406  0.51218341  0.10924302  1
  H  H55  1  0.53678594  0.48781659  0.89075698  1
  H  H56  1  0.57298400  0.53516259  0.18979044  1
  H  H57  1  0.42701600  0.46483741  0.81020956  1
  H  H58  1  0.45919147  0.55809663  0.20435479  1
  H  H59  1  0.54080853  0.44190337  0.79564521  1
  H  H60  1  0.61826335  0.64567105  0.02265421  1
  H  H61  1  0.38173665  0.35432895  0.97734579  1
  H  H62  1  0.72695011  0.78293434  0.05938965  1
  H  H63  1  0.27304989  0.21706566  0.94061035  1
  H  H64  1  0.74182834  0.67677820  0.09440813  1
  H  H65  1  0.25817166  0.32322180  0.90559187  1
  H  H66  1  0.03283911  0.84780155  0.40818005  1
  H  H67  1  0.96716089  0.15219845  0.59181995  1
  H  H68  1  0.99870043  0.95382935  0.41542132  1
  H  H69  1  0.00129957  0.04617065  0.58457868  1
  H  H70  1  0.90925238  0.82888361  0.44027434  1
  H  H71  1  0.09074762  0.17111639  0.55972566  1
  H  H72  1  0.04334034  0.82612906  0.24761924  1
  H  H73  1  0.95665966  0.17387094  0.75238076  1
  H  H74  1  0.94126514  0.82311751  0.17035005  1
  H  H75  1  0.05873486  0.17688249  0.82964995  1
  H  H76  1  0.03464583  0.94478906  0.24146370  1
  H  H77  1  0.96535417  0.05521094  0.75853630  1
  H  H78  1  0.89750505  0.64525086  0.29710500  1
  H  H79  1  0.10249495  0.35474914  0.70289500  1
  H  H80  1  0.76005403  0.61346386  0.31158891  1
  H  H81  1  0.23994597  0.38653614  0.68841109  1
  H  H82  1  0.78513576  0.61689592  0.21689373  1
  H  H83  1  0.21486424  0.38310408  0.78310627  1
  H  H84  1  0.16753528  0.37238473  0.47440094  1
  H  H85  1  0.83246472  0.62761527  0.52559906  1
  H  H86  1  0.13741691  0.46022358  0.42362568  1
  H  H87  1  0.86258309  0.53977642  0.57637432  1
  H  H88  1  0.02315638  0.33450888  0.43158612  1
  H  H89  1  0.97684362  0.66549112  0.56841388  1
  H  H90  1  0.33277582  0.38464030  0.38557303  1
  H  H91  1  0.66722418  0.61535970  0.61442697  1
  H  H92  1  0.29934395  0.34076531  0.28316120  1
  H  H93  1  0.70065605  0.65923469  0.71683880  1
  H  H94  1  0.30796816  0.46455171  0.32353482  1
  H  H95  1  0.69203184  0.53544829  0.67646518  1
  H  H96  1  0.15203457  0.17292224  0.40180737  1
  H  H97  1  0.84796543  0.82707776  0.59819263  1
  H  H98  1  0.00558050  0.11877890  0.35920115  1
  H  H99  1  0.99441950  0.88122110  0.64079885  1
  H  H100  1  0.10315387  0.11875210  0.30124527  1
  H  H101  1  0.89684613  0.88124790  0.69875473  1
  H  H102  1  0.12022180  0.64620271  0.27301129  1
  H  H103  1  0.87977820  0.35379729  0.72698871  1
  H  H104  1  0.04000709  0.54889042  0.32536117  1
  H  H105  1  0.95999291  0.45110958  0.67463883  1
  H  H106  1  0.18338967  0.58108728  0.32506880  1
  H  H107  1  0.81661033  0.41891272  0.67493120  1
  H  H108  1  0.20530325  0.59305533  0.14550159  1
  H  H109  1  0.79469675  0.40694467  0.85449841  1
  H  H110  1  0.24470288  0.50054017  0.18070137  1
  H  H111  1  0.75529712  0.49945983  0.81929863  1
  H  H112  1  0.14732443  0.46099181  0.08892460  1
  H  H113  1  0.85267557  0.53900819  0.91107540  1
  H  H114  1  0.97102310  0.56100520  0.12578228  1
  H  H115  1  0.02897690  0.43899480  0.87421772  1
  H  H116  1  0.90675114  0.42526634  0.07326460  1
  H  H117  1  0.09324886  0.57473366  0.92673540  1
  H  H118  1  0.85884486  0.45442890  0.15519006  1
  H  H119  1  0.14115514  0.54557110  0.84480994  1
  H  H120  1  0.95006776  0.16044332  0.96908751  1
  H  H121  1  0.04993224  0.83955668  0.03091249  1
  H  H122  1  0.86259390  0.20116644  0.01112114  1
  H  H123  1  0.13740610  0.79883356  0.98887886  1
  H  H124  1  0.00451507  0.29921784  0.01004800  1
  H  H125  1  0.99548493  0.70078216  0.98995200  1
  H  H126  1  0.16040635  0.17931247  0.05853229  1
  H  H127  1  0.83959365  0.82068753  0.94146771  1
  H  H128  1  0.21943222  0.30637840  0.12271135  1
  H  H129  1  0.78056778  0.69362160  0.87728865  1
  H  H130  1  0.19012239  0.18799424  0.16050316  1
  H  H131  1  0.80987761  0.81200576  0.83949684  1
  H  H132  1  0.91508375  0.99652718  0.04673640  1
  H  H133  1  0.08491625  0.00347282  0.95326360  1
  H  H134  1  0.95751500  0.00644614  0.14628059  1
  H  H135  1  0.04248500  0.99355386  0.85371941  1
  H  H136  1  0.82955343  0.01146915  0.10583378  1
  H  H137  1  0.17044657  0.98853085  0.89416622  1
  H  H138  1  0.24633425  0.84122661  0.22816596  1
  H  H139  1  0.75366575  0.15877339  0.77183404  1
  H  H140  1  0.32195689  0.89144998  0.15629781  1
  H  H141  1  0.67804311  0.10855002  0.84370219  1
  H  H142  1  0.36627000  0.82450686  0.22101121  1
  H  H143  1  0.63373000  0.17549314  0.77898879  1
  H  H144  1  0.34595408  0.92848931  0.39400378  1
  H  H145  1  0.65404592  0.07151069  0.60599622  1
  H  H146  1  0.48708104  0.94887630  0.40309062  1
  H  H147  1  0.51291896  0.05112370  0.59690938  1
  H  H148  1  0.46619519  0.05947928  0.43303499  1
  H  H149  1  0.53380481  0.94052072  0.56696501  1
  H  H150  1  0.27810507  0.05786385  0.31847729  1
  H  H151  1  0.72189493  0.94213615  0.68152271  1
  H  H152  1  0.38947889  0.17538460  0.29856563  1
  H  H153  1  0.61052111  0.82461540  0.70143437  1
  H  H154  1  0.28592380  0.06688793  0.22102289  1
  H  H155  1  0.71407620  0.93311207  0.77897711  1
  H  H156  1  0.63149887  0.19576032  0.02653751  1
  H  H157  1  0.36850113  0.80423968  0.97346249  1
  H  H158  1  0.75042122  0.24243783  0.10735249  1
  H  H159  1  0.24957878  0.75756217  0.89264751  1
  H  H160  1  0.65726994  0.10079633  0.07118853  1
  H  H161  1  0.34273006  0.89920367  0.92881147  1
  H  H162  1  0.40896128  0.10210750  0.02976528  1
  H  H163  1  0.59103872  0.89789250  0.97023472  1
  H  H164  1  0.39304843  0.99569442  0.07864168  1
  H  H165  1  0.60695157  0.00430558  0.92135832  1
  H  H166  1  0.34814444  0.08833074  0.11155461  1
  H  H167  1  0.65185556  0.91166926  0.88844539  1
  H  H168  1  0.56612081  0.33961578  0.10977305  1
  H  H169  1  0.43387919  0.66038422  0.89022695  1
  H  H170  1  0.50748251  0.31386447  0.19210856  1
  H  H171  1  0.49251749  0.68613553  0.80789144  1
  H  H172  1  0.65856722  0.37823069  0.20339211  1
  H  H173  1  0.34143278  0.62176931  0.79660789  1
  H  H174  1  0.79741476  0.29789802  0.51354996  1
  H  H175  1  0.20258524  0.70210198  0.48645004  1
  H  H176  1  0.68694820  0.16036567  0.48004705  1
  H  H177  1  0.31305180  0.83963433  0.51995295  1
  H  H178  1  0.81824691  0.20661286  0.45092409  1
  H  H179  1  0.18175309  0.79338714  0.54907591  1
  H  H180  1  0.64936250  0.38948316  0.45624422  1
  H  H181  1  0.35063750  0.61051684  0.54375578  1
  H  H182  1  0.55512301  0.34001088  0.36275001  1
  H  H183  1  0.44487699  0.65998912  0.63724999  1
  H  H184  1  0.53033824  0.25561369  0.43236128  1
  H  H185  1  0.46966176  0.74438631  0.56763872  1
  H  H186  1  0.86103368  0.45815075  0.41750521  1
  H  H187  1  0.13896632  0.54184925  0.58249479  1
  H  H188  1  0.88643239  0.38087757  0.34580172  1
  H  H189  1  0.11356761  0.61912243  0.65419828  1
  H  H190  1  0.79369343  0.43328545  0.31796760  1
  H  H191  1  0.20630657  0.56671455  0.68203240  1
  C  C192  1  0.63617284  0.66085040  0.40464661  1
  C  C193  1  0.36382716  0.33914960  0.59535339  1
  C  C194  1  0.70067916  0.89456092  0.45888568  1
  C  C195  1  0.29932084  0.10543908  0.54111432  1
  C  C196  1  0.47274163  0.73548778  0.34347122  1
  C  C197  1  0.52725837  0.26451222  0.65652878  1
  C  C198  1  0.48787278  0.74233945  0.10299166  1
  C  C199  1  0.51212722  0.25766055  0.89700834  1
  C  C200  1  0.51662602  0.56557677  0.16583370  1
  C  C201  1  0.48337398  0.43442323  0.83416630  1
  C  C202  1  0.68036616  0.70399609  0.07538176  1
  C  C203  1  0.31963384  0.29600391  0.92461824  1
  C  C204  1  0.96178321  0.86543492  0.39959795  1
  C  C205  1  0.03821679  0.13456508  0.60040205  1
  C  C206  1  0.98296172  0.85610452  0.23229696  1
  C  C207  1  0.01703828  0.14389548  0.76770304  1
  C  C208  1  0.82308256  0.65614176  0.27845544  1
  C  C209  1  0.17691744  0.34385824  0.72154456  1
  C  C210  1  0.11116128  0.37478558  0.42393032  1
  C  C211  1  0.88883872  0.62521442  0.57606968  1
  C  C212  1  0.28042163  0.38079631  0.33023134  1
  C  C213  1  0.71957837  0.61920369  0.66976866  1
  C  C214  1  0.09211330  0.16541062  0.34918728  1
  C  C215  1  0.90788670  0.83458938  0.65081272  1
  C  C216  1  0.10277555  0.56863931  0.28955692  1
  C  C217  1  0.89722445  0.43136069  0.71044308  1
  C  C218  1  0.17315974  0.50726193  0.14854964  1
  C  C219  1  0.82684026  0.49273807  0.85145036  1
  C  C220  1  0.93459230  0.47573823  0.13158515  1
  C  C221  1  0.06540770  0.52426177  0.86841485  1
  C  C222  1  0.95054037  0.21595419  0.01701789  1
  C  C223  1  0.04945963  0.78404581  0.98298211  1
  C  C224  1  0.15876302  0.21921048  0.11412058  1
  C  C225  1  0.84123698  0.78078952  0.88587942  1
  C  C226  1  0.91925352  0.03797847  0.10367723  1
  C  C227  1  0.08074648  0.96202153  0.89632277  1
  C  C228  1  0.33220762  0.88026871  0.21631218  1
  C  C229  1  0.66779238  0.11973129  0.78368782  1
  C  C230  1  0.43278578  0.98529074  0.38905055  1
  C  C231  1  0.56721422  0.01470926  0.61094945  1
  C  C232  1  0.33752140  0.08678050  0.28025777  1
  C  C233  1  0.66247860  0.91321950  0.71974223  1
  C  C234  1  0.66066531  0.17957446  0.08232978  1
  C  C235  1  0.33933469  0.82042554  0.91767022  1
  C  C236  1  0.41388658  0.08083517  0.08724017  1
  C  C237  1  0.58611342  0.91916483  0.91275983  1
  C  C238  1  0.57569475  0.31536545  0.16579168  1
  C  C239  1  0.42430525  0.68463455  0.83420832  1
  C  C240  1  0.75491122  0.22934366  0.46341174  1
  C  C241  1  0.24508878  0.77065634  0.53658826  1
  C  C242  1  0.59697791  0.31697217  0.40936129  1
  C  C243  1  0.40302209  0.68302783  0.59063871  1
  C  C244  1  0.82112811  0.39751745  0.36271976  1
  C  C245  1  0.17887189  0.60248255  0.63728024  1
