# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.38330394
_cell_length_b   15.38463353
_cell_length_c   15.79798029
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H391
_cell_volume   3738.85260124
_cell_formula_units_Z   195
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
  H  H1  1  1.001892  0.994510  0.724939  1
  H  H2  1  0.934637  0.130511  0.401509  1
  H  H3  1  0.958263  0.125844  0.912594  1
  H  H4  1  0.980216  0.271885  0.430431  1
  H  H5  1  0.977753  0.291877  0.930175  1
  H  H6  1  0.020242  0.419538  0.482202  1
  H  H7  1  0.010888  0.442457  -0.011072  1
  H  H8  1  0.971978  0.566092  0.449761  1
  H  H9  1  0.991035  0.614422  0.022032  1
  H  H10  1  0.974545  0.712415  0.422131  1
  H  H11  1  0.936814  0.696306  0.912727  1
  H  H12  1  0.981614  0.850324  0.381885  1
  H  H13  1  0.964195  0.895509  0.846136  1
  H  H14  1  0.115513  0.917113  0.408994  1
  H  H15  1  0.072239  0.992027  0.854688  1
  H  H16  1  0.078356  0.112353  0.401421  1
  H  H17  1  0.108359  0.107447  0.930384  1
  H  H18  1  0.122588  0.246635  0.428122  1
  H  H19  1  0.127533  0.259143  0.944681  1
  H  H20  1  0.166414  0.383974  0.461225  1
  H  H21  1  0.163063  0.408245  0.966478  1
  H  H22  1  0.207270  0.527915  0.469652  1
  H  H23  1  0.131733  0.571864  0.028654  1
  H  H24  1  0.103162  0.633040  0.440248  1
  H  H25  1  0.095399  0.698367  0.929588  1
  H  H26  1  0.120131  0.771490  0.403012  1
  H  H27  1  0.123393  0.858459  0.897916  1
  H  H28  1  0.262162  0.967861  0.423192  1
  H  H29  1  0.222599  0.974638  0.893983  1
  H  H30  1  0.224536  0.117839  0.418699  1
  H  H31  1  0.258974  0.110645  0.940081  1
  H  H32  1  0.265913  0.261183  0.453382  1
  H  H33  1  0.276334  0.261663  0.950934  1
  H  H34  1  0.311707  0.403287  0.453427  1
  H  H35  1  0.309877  0.411208  0.932787  1
  H  H36  1  0.345335  0.549546  0.437174  1
  H  H37  1  0.234615  0.543294  0.933854  1
  H  H38  1  0.245543  0.669775  0.420453  1
  H  H39  1  0.244189  0.691464  0.930453  1
  H  H40  1  0.261122  0.819087  0.409156  1
  H  H41  1  0.276505  0.835704  0.910097  1
  H  H42  1  0.413103  0.997480  0.434203  1
  H  H43  1  0.371097  0.999688  0.945272  1
  H  H44  1  0.364062  0.130152  0.448873  1
  H  H45  1  0.400805  0.146172  0.953784  1
  H  H46  1  0.410610  0.268784  0.452393  1
  H  H47  1  0.423032  0.293694  0.928968  1
  H  H48  1  0.453037  0.405312  0.422366  1
  H  H49  1  0.454223  0.442204  0.908922  1
  H  H50  1  0.488344  0.554909  0.424931  1
  H  H51  1  0.375380  0.569780  0.919728  1
  H  H52  1  0.390359  0.702083  0.417550  1
  H  H53  1  0.388953  0.718209  0.902925  1
  H  H54  1  0.404817  0.850946  0.428108  1
  H  H55  1  0.417661  0.855040  0.948476  1
  H  H56  1  0.561379  0.992676  0.437900  1
  H  H57  1  0.523329  0.040515  0.961201  1
  H  H58  1  0.511296  0.145430  0.440698  1
  H  H59  1  0.542804  0.189996  0.935526  1
  H  H60  1  0.558130  0.295985  0.425461  1
  H  H61  1  0.572937  0.334823  0.909228  1
  H  H62  1  0.586895  0.439819  0.379301  1
  H  H63  1  0.596213  0.489715  0.888887  1
  H  H64  1  0.603891  0.595848  0.361820  1
  H  H65  1  0.511119  0.614339  0.896398  1
  H  H66  1  0.530755  0.703534  0.435407  1
  H  H67  1  0.531553  0.762839  0.902917  1
  H  H68  1  0.549741  0.848981  0.432772  1
  H  H69  1  0.569852  0.885892  0.969423  1
  H  H70  1  0.710894  0.968227  0.418379  1
  H  H71  1  0.692069  0.950785  0.921261  1
  H  H72  1  0.652949  0.106889  0.436903  1
  H  H73  1  0.659879  0.092167  0.935359  1
  H  H74  1  0.693452  0.244750  0.415516  1
  H  H75  1  0.691341  0.235787  0.914900  1
  H  H76  1  0.726196  0.387897  0.410860  1
  H  H77  1  0.720436  0.381551  0.897646  1
  H  H78  1  0.684436  0.524272  0.449764  1
  H  H79  1  0.749574  0.523811  0.893729  1
  H  H80  1  0.684604  0.679384  0.445088  1
  H  H81  1  0.651095  0.646079  0.879901  1
  H  H82  1  0.694713  0.823613  0.432155  1
  H  H83  1  0.681970  0.792910  0.921927  1
  H  H84  1  0.855897  0.966420  0.392414  1
  H  H85  1  0.848853  0.973868  0.915944  1
  H  H86  1  0.791808  0.107092  0.395730  1
  H  H87  1  0.806729  0.116897  0.922946  1
  H  H88  1  0.836291  0.250341  0.408021  1
  H  H89  1  0.835449  0.261140  0.911747  1
  H  H90  1  0.878204  0.389752  0.433891  1
  H  H91  1  0.869480  0.405609  0.921441  1
  H  H92  1  0.831331  0.529860  0.440408  1
  H  H93  1  0.884675  0.552906  0.944831  1
  H  H94  1  0.832995  0.676917  0.450879  1
  H  H95  1  0.790116  0.672821  0.923553  1
  H  H96  1  0.842478  0.818843  0.423685  1
  H  H97  1  0.839629  0.822851  0.927669  1
  H  H98  1  1.000184  0.985053  0.969010  1
  H  H99  1  0.998272  0.996522  0.377085  1
  H  H100  1  0.020778  0.185208  0.028574  1
  H  H101  1  0.036940  0.178565  0.538441  1
  H  H102  1  0.052323  0.318325  0.065484  1
  H  H103  1  0.080272  0.311740  0.563799  1
  H  H104  1  0.990455  0.414421  0.189982  1
  H  H105  1  1.003464  0.410544  0.651265  1
  H  H106  1  0.038296  0.554189  0.148209  1
  H  H107  1  0.031256  0.537567  0.581160  1
  H  H108  1  0.054751  0.740363  0.066978  1
  H  H109  1  0.033393  0.682947  0.560405  1
  H  H110  1  0.996943  0.819581  0.958677  1
  H  H111  1  0.048469  0.819156  0.517051  1
  H  H112  1  0.180525  0.988462  0.025557  1
  H  H113  1  0.134091  0.025223  0.504438  1
  H  H114  1  0.181503  0.160478  0.050960  1
  H  H115  1  0.180207  0.172455  0.547253  1
  H  H116  1  0.201688  0.309549  0.072950  1
  H  H117  1  0.218664  0.313323  0.588510  1
  H  H118  1  0.117635  0.437723  0.104656  1
  H  H119  1  0.144527  0.446273  0.598740  1
  H  H120  1  0.185551  0.558738  0.155018  1
  H  H121  1  0.160516  0.596121  0.580780  1
  H  H122  1  0.194031  0.697516  0.069115  1
  H  H123  1  0.178756  0.732326  0.536928  1
  H  H124  1  0.186203  0.833392  0.027191  1
  H  H125  1  0.188285  0.878466  0.526081  1
  H  H126  1  0.305890  0.051508  0.073275  1
  H  H127  1  0.271065  0.050581  0.546657  1
  H  H128  1  0.324273  0.197653  0.072202  1
  H  H129  1  0.323432  0.195233  0.577953  1
  H  H130  1  0.351752  0.342507  0.059033  1
  H  H131  1  0.357036  0.341333  0.573283  1
  H  H132  1  0.260943  0.462352  0.069515  1
  H  H133  1  0.287464  0.477274  0.581115  1
  H  H134  1  0.305112  0.603774  0.055387  1
  H  H135  1  0.299083  0.625975  0.555767  1
  H  H136  1  0.334346  0.756685  0.040564  1
  H  H137  1  0.320358  0.769851  0.532178  1
  H  H138  1  0.315324  0.905295  0.050739  1
  H  H139  1  0.334716  0.917128  0.545060  1
  H  H140  1  0.410890  0.999571  0.197355  1
  H  H141  1  0.412162  0.054784  0.580522  1
  H  H142  1  0.447738  0.088487  0.080906  1
  H  H143  1  0.466998  0.192317  0.573624  1
  H  H144  1  0.468808  0.233570  0.060049  1
  H  H145  1  0.499749  0.336644  0.556775  1
  H  H146  1  0.496440  0.373919  0.028791  1
  H  H147  1  0.427223  0.480075  0.544132  1
  H  H148  1  0.443947  0.651293  0.028615  1
  H  H149  1  0.441775  0.633028  0.542095  1
  H  H150  1  0.486137  0.791785  0.062185  1
  H  H151  1  0.464062  0.782510  0.546231  1
  H  H152  1  0.464031  0.943369  0.064578  1
  H  H153  1  0.486580  0.928478  0.558046  1
  H  H154  1  0.547250  0.034696  0.186356  1
  H  H155  1  0.558546  0.063833  0.565743  1
  H  H156  1  0.589554  0.132793  0.066299  1
  H  H157  1  0.610401  0.202279  0.546038  1
  H  H158  1  0.616372  0.278742  0.040790  1
  H  H159  1  0.648926  0.341854  0.539446  1
  H  H160  1  0.639597  0.423529  0.015925  1
  H  H161  1  0.572279  0.463998  0.521697  1
  H  H162  1  0.540746  0.535274  0.013418  1
  H  H163  1  0.590351  0.609608  0.535496  1
  H  H164  1  0.591335  0.693032  0.011488  1
  H  H165  1  0.608999  0.758076  0.549744  1
  H  H166  1  0.634987  0.820493  0.080468  1
  H  H167  1  0.634550  0.900827  0.548073  1
  H  H168  1  0.618252  0.982937  0.064073  1
  H  H169  1  0.699772  0.030546  0.556144  1
  H  H170  1  0.730753  0.178197  0.048351  1
  H  H171  1  0.750979  0.166058  0.535911  1
  H  H172  1  0.761388  0.322339  0.028450  1
  H  H173  1  0.790522  0.306576  0.538860  1
  H  H174  1  0.781302  0.467925  0.039835  1
  H  H175  1  0.756653  0.448338  0.544822  1
  H  H176  1  0.689380  0.581278  0.005091  1
  H  H177  1  0.750291  0.604751  0.551695  1
  H  H178  1  0.763552  0.753160  0.039947  1
  H  H179  1  0.756277  0.756358  0.555401  1
  H  H180  1  0.755928  0.895612  0.039976  1
  H  H181  1  0.787091  0.901049  0.537799  1
  H  H182  1  0.755855  0.037133  0.040245  1
  H  H183  1  0.839147  0.042318  0.514408  1
  H  H184  1  0.876853  0.202844  0.039853  1
  H  H185  1  0.892726  0.179541  0.533809  1
  H  H186  1  0.905536  0.348997  0.053759  1
  H  H187  1  0.932830  0.319143  0.557106  1
  H  H188  1  0.918023  0.495577  0.082968  1
  H  H189  1  0.900843  0.470732  0.555842  1
  H  H190  1  0.831391  0.616844  0.068434  1
  H  H191  1  0.898565  0.618338  0.568781  1
  H  H192  1  0.906193  0.745243  0.051943  1
  H  H193  1  0.907312  0.771294  0.555311  1
  H  H194  1  0.903700  0.899090  0.045891  1
  H  H195  1  0.934985  0.910018  0.503377  1
  H  H196  1  0.069038  0.061670  0.079117  1
  H  H197  1  0.095677  0.078862  0.637734  1
  H  H198  1  0.095316  0.190458  0.161051  1
  H  H199  1  0.133904  0.213225  0.683025  1
  H  H200  1  0.107234  0.321653  0.210374  1
  H  H201  1  0.124688  0.356706  0.717950  1
  H  H202  1  0.119806  0.467587  0.250547  1
  H  H203  1  0.077084  0.500597  0.741044  1
  H  H204  1  0.110075  0.674921  0.187350  1
  H  H205  1  0.091079  0.643377  0.695224  1
  H  H206  1  0.125188  0.819545  0.172830  1
  H  H207  1  0.107624  0.785073  0.653722  1
  H  H208  1  0.060010  0.897061  0.063407  1
  H  H209  1  0.051851  0.937130  0.597727  1
  H  H210  1  0.212347  0.092197  0.183829  1
  H  H211  1  0.242213  0.113213  0.674692  1
  H  H212  1  0.245267  0.237892  0.192145  1
  H  H213  1  0.275833  0.252934  0.710922  1
  H  H214  1  0.246344  0.383107  0.195964  1
  H  H215  1  0.267871  0.398542  0.701751  1
  H  H216  1  0.293919  0.514169  0.221857  1
  H  H217  1  0.219241  0.538422  0.701339  1
  H  H218  1  0.275565  0.666185  0.186455  1
  H  H219  1  0.235209  0.685265  0.679779  1
  H  H220  1  0.265632  0.810055  0.161853  1
  H  H221  1  0.252425  0.826946  0.649592  1
  H  H222  1  0.135831  0.966410  0.167138  1
  H  H223  1  0.187337  0.961758  0.640653  1
  H  H224  1  0.361250  0.134351  0.198025  1
  H  H225  1  0.384162  0.133401  0.704120  1
  H  H226  1  0.391548  0.276971  0.189616  1
  H  H227  1  0.420035  0.278656  0.686297  1
  H  H228  1  0.393728  0.419592  0.175813  1
  H  H229  1  0.414137  0.426737  0.681035  1
  H  H230  1  0.413859  0.567737  0.170291  1
  H  H231  1  0.366263  0.569804  0.677162  1
  H  H232  1  0.411597  0.711909  0.167384  1
  H  H233  1  0.378872  0.716135  0.656807  1
  H  H234  1  0.404151  0.856105  0.176154  1
  H  H235  1  0.394947  0.860078  0.665982  1
  H  H236  1  0.275821  0.957110  0.186945  1
  H  H237  1  0.322742  0.987193  0.681941  1
  H  H238  1  0.510143  0.174547  0.192574  1
  H  H239  1  0.525483  0.117652  0.697378  1
  H  H240  1  0.539067  0.314841  0.162634  1
  H  H241  1  0.565153  0.259452  0.675218  1
  H  H242  1  0.527701  0.454942  0.137430  1
  H  H243  1  0.568155  0.407122  0.662251  1
  H  H244  1  0.403306  0.491133  0.042480  1
  H  H245  1  0.509630  0.543575  0.645062  1
  H  H246  1  0.542526  0.617368  0.133580  1
  H  H247  1  0.523292  0.689109  0.653411  1
  H  H248  1  0.554848  0.745259  0.188861  1
  H  H249  1  0.539170  0.835075  0.664736  1
  H  H250  1  0.547859  0.890199  0.180899  1
  H  H251  1  0.465126  0.981386  0.717910  1
  H  H252  1  0.681657  0.080407  0.170269  1
  H  H253  1  0.668116  0.100331  0.683512  1
  H  H254  1  0.656713  0.225819  0.174223  1
  H  H255  1  0.708201  0.237059  0.659724  1
  H  H256  1  0.686757  0.374257  0.152621  1
  H  H257  1  0.716863  0.380444  0.666033  1
  H  H258  1  0.651411  0.519066  0.128852  1
  H  H259  1  0.658062  0.521526  0.635747  1
  H  H260  1  0.686906  0.669687  0.116288  1
  H  H261  1  0.668298  0.671784  0.656903  1
  H  H262  1  0.694148  0.785058  0.209421  1
  H  H263  1  0.682793  0.820774  0.676887  1
  H  H264  1  0.693222  0.931454  0.180080  1
  H  H265  1  0.601380  0.967527  0.674649  1
  H  H266  1  0.817920  0.117480  0.160718  1
  H  H267  1  0.811304  0.093110  0.661452  1
  H  H268  1  0.803172  0.261783  0.157846  1
  H  H269  1  0.851750  0.237283  0.665331  1
  H  H270  1  0.838090  0.402417  0.175224  1
  H  H271  1  0.859740  0.385279  0.665310  1
  H  H272  1  0.775159  0.536968  0.183780  1
  H  H273  1  0.804649  0.526078  0.659396  1
  H  H274  1  0.808768  0.678255  0.202033  1
  H  H275  1  0.814208  0.679002  0.673295  1
  H  H276  1  0.826309  0.823383  0.160692  1
  H  H277  1  0.826815  0.827688  0.667467  1
  H  H278  1  0.831326  0.972361  0.154040  1
  H  H279  1  0.746505  0.956765  0.674536  1
  H  H280  1  0.901733  0.056826  0.041959  1
  H  H281  1  0.986286  0.046502  0.519599  1
  H  H282  1  0.959231  0.129911  0.156402  1
  H  H283  1  0.954636  0.118964  0.656546  1
  H  H284  1  0.955291  0.271896  0.168646  1
  H  H285  1  0.997184  0.259930  0.677386  1
  H  H286  1  0.911707  0.541379  0.218295  1
  H  H287  1  0.941750  0.544994  0.698218  1
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  H  H308  1  0.169684  0.019878  0.315795  1
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  H  H312  1  0.204766  0.318982  0.325397  1
  H  H313  1  0.215148  0.318934  0.832621  1
  H  H314  1  0.243081  0.462765  0.342565  1
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  H  H318  1  0.195241  0.736031  0.288323  1
  H  H319  1  0.179545  0.758609  0.798609  1
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  H  H326  1  0.349264  0.353569  0.315206  1
  H  H327  1  0.364992  0.347822  0.806638  1
  H  H328  1  0.406947  0.496120  0.313019  1
  H  H329  1  0.328762  0.489356  0.804071  1
  H  H330  1  0.333056  0.622081  0.309448  1
  H  H331  1  0.306352  0.633325  0.801979  1
  H  H332  1  0.338395  0.767066  0.289793  1
  H  H333  1  0.324945  0.777586  0.780087  1
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  H  H335  1  0.364123  0.922305  0.816623  1
  H  H336  1  0.458274  0.094350  0.313881  1
  H  H337  1  0.458715  0.085641  0.831845  1
  H  H338  1  0.461908  0.246455  0.318176  1
  H  H339  1  0.485342  0.231756  0.805975  1
  H  H340  1  0.495039  0.383388  0.279053  1
  H  H341  1  0.512459  0.376326  0.786828  1
  H  H342  1  0.540944  0.524284  0.255887  1
  H  H343  1  0.467324  0.516968  0.787458  1
  H  H344  1  0.478954  0.653628  0.292919  1
  H  H345  1  0.449387  0.665121  0.776296  1
  H  H346  1  0.478970  0.804773  0.303076  1
  H  H347  1  0.465843  0.815740  0.787490  1
  H  H348  1  0.491428  0.950662  0.313797  1
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  H  H354  1  0.625572  0.318931  0.290383  1
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  H  H359  1  0.586752  0.586162  0.758673  1
  H  H360  1  0.612714  0.744358  0.326245  1
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  H  H364  1  0.767345  0.020231  0.279723  1
  H  H365  1  0.745797  0.029644  0.804873  1
  H  H366  1  0.733140  0.170519  0.283126  1
  H  H367  1  0.766002  0.175720  0.788339  1
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  H  H372  1  0.751420  0.583928  0.331129  1
  H  H373  1  0.728689  0.587432  0.764450  1
  H  H374  1  0.759300  0.728485  0.329878  1
  H  H375  1  0.741471  0.732177  0.791192  1
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  H  H378  1  0.909090  0.055986  0.274424  1
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  H  H380  1  0.876047  0.196812  0.276152  1
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  H  H388  1  0.895182  0.766476  0.288140  1
  H  H389  1  0.883537  0.774904  0.794210  1
  H  H390  1  0.907483  0.910414  0.266662  1
  H  H391  1  0.866520  0.937381  0.757868  1
