# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.05189299
_cell_length_b   14.53756701
_cell_length_c   49.56283423
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.28738024
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   9948.25770887
_cell_formula_units_Z   144
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  0.477375  0.717652  0.323998  1
  H  H2  1  0.810708  0.384319  0.323998  1
  H  H3  1  0.933958  0.743420  0.286961  1
  H  H4  1  0.144041  0.050986  0.323998  1
  H  H5  1  0.267291  0.410087  0.286961  1
  H  H6  1  0.205666  0.730536  0.305479  1
  H  H7  1  0.600624  0.076754  0.286961  1
  H  H8  1  0.538999  0.397203  0.305479  1
  H  H9  1  0.872333  0.063870  0.305479  1
  H  H10  1  0.355993  0.548838  0.327084  1
  H  H11  1  0.689326  0.215505  0.327084  1
  H  H12  1  0.812576  0.574606  0.290047  1
  H  H13  1  0.022659  0.882172  0.327084  1
  H  H14  1  0.145909  0.241273  0.290047  1
  H  H15  1  0.084284  0.561722  0.308566  1
  H  H16  1  0.479242  0.907940  0.290047  1
  H  H17  1  0.417618  0.228389  0.308566  1
  H  H18  1  0.750951  0.895056  0.308566  1
  H  H19  1  0.365755  0.498072  0.324150  1
  H  H20  1  0.699089  0.164738  0.324150  1
  H  H21  1  0.822338  0.523840  0.287113  1
  H  H22  1  0.032422  0.831405  0.324150  1
  H  H23  1  0.155672  0.190506  0.287113  1
  H  H24  1  0.094047  0.510956  0.305632  1
  H  H25  1  0.489005  0.857173  0.287113  1
  H  H26  1  0.427380  0.177622  0.305632  1
  H  H27  1  0.760714  0.844289  0.305632  1
  H  H28  1  0.487137  0.666886  0.321064  1
  H  H29  1  0.820471  0.333552  0.321064  1
  H  H30  1  0.943720  0.692654  0.284027  1
  H  H31  1  0.153804  0.000219  0.321064  1
  H  H32  1  0.277054  0.359321  0.284027  1
  H  H33  1  0.215429  0.679770  0.302545  1
  H  H34  1  0.610387  0.025987  0.284027  1
  H  H35  1  0.548762  0.346436  0.302545  1
  H  H36  1  0.882096  0.013103  0.302545  1
  H  H37  1  0.292500  0.679000  0.379553  1
  H  H38  1  0.625833  0.345667  0.379553  1
  H  H39  1  0.749083  0.704768  0.342516  1
  H  H40  1  0.959167  0.012333  0.379553  1
  H  H41  1  0.082416  0.371435  0.342516  1
  H  H42  1  0.020792  0.691884  0.361035  1
  H  H43  1  0.415750  0.038101  0.342516  1
  H  H44  1  0.354125  0.358551  0.361035  1
  H  H45  1  0.687458  0.025217  0.361035  1
  H  H46  1  0.171118  0.510186  0.382640  1
  H  H47  1  0.504451  0.176853  0.382640  1
  H  H48  1  0.627701  0.535954  0.345603  1
  H  H49  1  0.837785  0.843519  0.382640  1
  H  H50  1  0.961034  0.202621  0.345603  1
  H  H51  1  0.899410  0.523070  0.364121  1
  H  H52  1  0.294368  0.869287  0.345603  1
  H  H53  1  0.232743  0.189737  0.364121  1
  H  H54  1  0.566076  0.856403  0.364121  1
  H  H55  1  0.180881  0.459419  0.379706  1
  H  H56  1  0.514214  0.126086  0.379706  1
  H  H57  1  0.637464  0.485188  0.342669  1
  H  H58  1  0.847548  0.792753  0.379706  1
  H  H59  1  0.970797  0.151854  0.342669  1
  H  H60  1  0.909172  0.472304  0.361187  1
  H  H61  1  0.304131  0.818521  0.342669  1
  H  H62  1  0.242506  0.138970  0.361187  1
  H  H63  1  0.575839  0.805637  0.361187  1
  H  H64  1  0.302263  0.628233  0.376620  1
  H  H65  1  0.635596  0.294900  0.376620  1
  H  H66  1  0.758846  0.654002  0.339583  1
  H  H67  1  0.968929  0.961567  0.376620  1
  H  H68  1  0.092179  0.320668  0.339583  1
  H  H69  1  0.030554  0.641118  0.358101  1
  H  H70  1  0.425513  0.987335  0.339583  1
  H  H71  1  0.363888  0.307784  0.358101  1
  H  H72  1  0.697221  0.974451  0.358101  1
  H  H73  1  0.107625  0.640348  0.435109  1
  H  H74  1  0.440959  0.307014  0.435109  1
  H  H75  1  0.564208  0.666116  0.398072  1
  H  H76  1  0.774292  0.973681  0.435109  1
  H  H77  1  0.897542  0.332783  0.398072  1
  H  H78  1  0.835917  0.653232  0.416590  1
  H  H79  1  0.230875  0.999449  0.398072  1
  H  H80  1  0.169250  0.319899  0.416590  1
  H  H81  1  0.502584  0.986565  0.416590  1
  H  H82  1  0.986244  0.471534  0.438195  1
  H  H83  1  0.319577  0.138200  0.438195  1
  H  H84  1  0.442827  0.497302  0.401158  1
  H  H85  1  0.652910  0.804867  0.438195  1
  H  H86  1  0.776160  0.163969  0.401158  1
  H  H87  1  0.714535  0.484418  0.419677  1
  H  H88  1  0.109493  0.830635  0.401158  1
  H  H89  1  0.047868  0.151085  0.419677  1
  H  H90  1  0.381202  0.817751  0.419677  1
  H  H91  1  0.996006  0.420767  0.435262  1
  H  H92  1  0.329340  0.087434  0.435262  1
  H  H93  1  0.452589  0.446535  0.398224  1
  H  H94  1  0.662673  0.754101  0.435262  1
  H  H95  1  0.785923  0.113202  0.398224  1
  H  H96  1  0.724298  0.433651  0.416743  1
  H  H97  1  0.119256  0.779869  0.398224  1
  H  H98  1  0.057631  0.100318  0.416743  1
  H  H99  1  0.390964  0.766985  0.416743  1
  H  H100  1  0.117388  0.589581  0.432175  1
  H  H101  1  0.450722  0.256248  0.432175  1
  H  H102  1  0.573971  0.615349  0.395138  1
  H  H103  1  0.784055  0.922915  0.432175  1
  H  H104  1  0.907305  0.282016  0.395138  1
  H  H105  1  0.845680  0.602465  0.413657  1
  H  H106  1  0.240638  0.948683  0.395138  1
  H  H107  1  0.179013  0.269132  0.413657  1
  H  H108  1  0.512346  0.935799  0.413657  1
  H  H109  1  0.922751  0.601696  0.490664  1
  H  H110  1  0.256084  0.268362  0.490664  1
  H  H111  1  0.379334  0.627464  0.453627  1
  H  H112  1  0.589418  0.935029  0.490664  1
  H  H113  1  0.712667  0.294130  0.453627  1
  H  H114  1  0.651042  0.614580  0.472146  1
  H  H115  1  0.046001  0.960797  0.453627  1
  H  H116  1  0.984376  0.281246  0.472146  1
  H  H117  1  0.317709  0.947913  0.472146  1
  H  H118  1  0.801369  0.432882  0.493751  1
  H  H119  1  0.134702  0.099548  0.493751  1
  H  H120  1  0.257952  0.458650  0.456714  1
  H  H121  1  0.468036  0.766215  0.493751  1
  H  H122  1  0.591285  0.125316  0.456714  1
  H  H123  1  0.529660  0.445766  0.475232  1
  H  H124  1  0.924619  0.791983  0.456714  1
  H  H125  1  0.862994  0.112432  0.475232  1
  H  H126  1  0.196327  0.779099  0.475232  1
  H  H127  1  0.811132  0.382115  0.490817  1
  H  H128  1  0.144465  0.048782  0.490817  1
  H  H129  1  0.267715  0.407883  0.453780  1
  H  H130  1  0.477798  0.715448  0.490817  1
  H  H131  1  0.601048  0.074550  0.453780  1
  H  H132  1  0.539423  0.394999  0.472299  1
  H  H133  1  0.934381  0.741216  0.453780  1
  H  H134  1  0.872757  0.061666  0.472299  1
  H  H135  1  0.206090  0.728332  0.472299  1
  H  H136  1  0.932514  0.550929  0.487731  1
  H  H137  1  0.265847  0.217596  0.487731  1
  H  H138  1  0.389097  0.576697  0.450694  1
  H  H139  1  0.599180  0.884262  0.487731  1
  H  H140  1  0.722430  0.243364  0.450694  1
  H  H141  1  0.660805  0.563813  0.469212  1
  H  H142  1  0.055763  0.910030  0.450694  1
  H  H143  1  0.994139  0.230480  0.469212  1
  H  H144  1  0.327472  0.897146  0.469212  1
  H  H145  1  0.737876  0.563043  0.546220  1
  H  H146  1  0.071210  0.229710  0.546220  1
  H  H147  1  0.194459  0.588811  0.509183  1
  H  H148  1  0.404543  0.896377  0.546220  1
  H  H149  1  0.527793  0.255478  0.509183  1
  H  H150  1  0.466168  0.575927  0.527701  1
  H  H151  1  0.861126  0.922145  0.509183  1
  H  H152  1  0.799501  0.242594  0.527701  1
  H  H153  1  0.132834  0.909261  0.527701  1
  H  H154  1  0.616494  0.394229  0.549306  1
  H  H155  1  0.949828  0.060896  0.549306  1
  H  H156  1  0.073077  0.419997  0.512269  1
  H  H157  1  0.283161  0.727563  0.549306  1
  H  H158  1  0.406411  0.086664  0.512269  1
  H  H159  1  0.344786  0.407113  0.530788  1
  H  H160  1  0.739744  0.753331  0.512269  1
  H  H161  1  0.678119  0.073780  0.530788  1
  H  H162  1  0.011453  0.740447  0.530788  1
  H  H163  1  0.626257  0.343463  0.546373  1
  H  H164  1  0.959590  0.010129  0.546373  1
  H  H165  1  0.082840  0.369231  0.509336  1
  H  H166  1  0.292924  0.676796  0.546373  1
  H  H167  1  0.416174  0.035898  0.509336  1
  H  H168  1  0.354549  0.356347  0.527854  1
  H  H169  1  0.749507  0.702564  0.509336  1
  H  H170  1  0.687882  0.023013  0.527854  1
  H  H171  1  0.021215  0.689680  0.527854  1
  H  H172  1  0.747639  0.512277  0.543286  1
  H  H173  1  0.080972  0.178943  0.543286  1
  H  H174  1  0.204222  0.538045  0.506249  1
  H  H175  1  0.414306  0.845610  0.543286  1
  H  H176  1  0.537555  0.204712  0.506249  1
  H  H177  1  0.475931  0.525161  0.524768  1
  H  H178  1  0.870889  0.871378  0.506249  1
  H  H179  1  0.809264  0.191827  0.524768  1
  H  H180  1  0.142597  0.858494  0.524768  1
  H  H181  1  0.553002  0.524391  0.601776  1
  H  H182  1  0.886335  0.191058  0.601776  1
  H  H183  1  0.009585  0.550159  0.564738  1
  H  H184  1  0.219668  0.857724  0.601776  1
  H  H185  1  0.342918  0.216826  0.564738  1
  H  H186  1  0.281293  0.537275  0.583257  1
  H  H187  1  0.676251  0.883493  0.564738  1
  H  H188  1  0.614627  0.203942  0.583257  1
  H  H189  1  0.947960  0.870608  0.583257  1
  H  H190  1  0.431620  0.355577  0.604862  1
  H  H191  1  0.764953  0.022244  0.604862  1
  H  H192  1  0.888203  0.381345  0.567825  1
  H  H193  1  0.098286  0.688910  0.604862  1
  H  H194  1  0.221536  0.048012  0.567825  1
  H  H195  1  0.159911  0.368461  0.586343  1
  H  H196  1  0.554870  0.714679  0.567825  1
  H  H197  1  0.493245  0.035128  0.586343  1
  H  H198  1  0.826578  0.701794  0.586343  1
  H  H199  1  0.441383  0.304810  0.601928  1
  H  H200  1  0.774716  0.971477  0.601928  1
  H  H201  1  0.897966  0.330579  0.564891  1
  H  H202  1  0.108049  0.638144  0.601928  1
  H  H203  1  0.231299  0.997245  0.564891  1
  H  H204  1  0.169674  0.317695  0.583410  1
  H  H205  1  0.564632  0.663912  0.564891  1
  H  H206  1  0.503007  0.984361  0.583410  1
  H  H207  1  0.836341  0.651028  0.583410  1
  H  H208  1  0.562765  0.473625  0.598842  1
  H  H209  1  0.896098  0.140291  0.598842  1
  H  H210  1  0.019348  0.499393  0.561805  1
  H  H211  1  0.229431  0.806958  0.598842  1
  H  H212  1  0.352681  0.166059  0.561805  1
  H  H213  1  0.291056  0.486509  0.580323  1
  H  H214  1  0.686014  0.832726  0.561805  1
  H  H215  1  0.624389  0.153175  0.580323  1
  H  H216  1  0.957723  0.819842  0.580323  1
  H  H217  1  0.368127  0.485739  0.657331  1
  H  H218  1  0.701460  0.152405  0.657331  1
  H  H219  1  0.824710  0.511507  0.620294  1
  H  H220  1  0.034794  0.819072  0.657331  1
  H  H221  1  0.158044  0.178174  0.620294  1
  H  H222  1  0.096419  0.498623  0.638813  1
  H  H223  1  0.491377  0.844840  0.620294  1
  H  H224  1  0.429752  0.165290  0.638813  1
  H  H225  1  0.763085  0.831956  0.638813  1
  H  H226  1  0.246745  0.316925  0.660417  1
  H  H227  1  0.580079  0.983591  0.660417  1
  H  H228  1  0.703328  0.342693  0.623380  1
  H  H229  1  0.913412  0.650258  0.660417  1
  H  H230  1  0.036662  0.009360  0.623380  1
  H  H231  1  0.975037  0.329809  0.641899  1
  H  H232  1  0.369995  0.676026  0.623380  1
  H  H233  1  0.308370  0.996476  0.641899  1
  H  H234  1  0.641703  0.663142  0.641899  1
  H  H235  1  0.256508  0.266158  0.657484  1
  H  H236  1  0.589841  0.932825  0.657484  1
  H  H237  1  0.713091  0.291926  0.620447  1
  H  H238  1  0.923175  0.599492  0.657484  1
  H  H239  1  0.046424  0.958593  0.620447  1
  H  H240  1  0.984800  0.279042  0.638965  1
  H  H241  1  0.379758  0.625260  0.620447  1
  H  H242  1  0.318133  0.945709  0.638965  1
  H  H243  1  0.651466  0.612376  0.638965  1
  H  H244  1  0.377890  0.434972  0.654397  1
  H  H245  1  0.711223  0.101639  0.654397  1
  H  H246  1  0.834473  0.460740  0.617360  1
  H  H247  1  0.044557  0.768306  0.654397  1
  H  H248  1  0.167806  0.127407  0.617360  1
  H  H249  1  0.106181  0.447856  0.635879  1
  H  H250  1  0.501140  0.794074  0.617360  1
  H  H251  1  0.439515  0.114523  0.635879  1
  H  H252  1  0.772848  0.781190  0.635879  1
  H  H253  1  0.183253  0.447087  0.712887  1
  H  H254  1  0.516586  0.113753  0.712887  1
  H  H255  1  0.639836  0.472855  0.675850  1
  H  H256  1  0.849919  0.780420  0.712887  1
  H  H257  1  0.973169  0.139521  0.675850  1
  H  H258  1  0.911544  0.459971  0.694368  1
  H  H259  1  0.306502  0.806188  0.675850  1
  H  H260  1  0.244877  0.126637  0.694368  1
  H  H261  1  0.578211  0.793304  0.694368  1
  H  H262  1  0.061871  0.278273  0.715973  1
  H  H263  1  0.395204  0.944939  0.715973  1
  H  H264  1  0.518454  0.304041  0.678936  1
  H  H265  1  0.728537  0.611606  0.715973  1
  H  H266  1  0.851787  0.970707  0.678936  1
  H  H267  1  0.790162  0.291157  0.697455  1
  H  H268  1  0.185120  0.637374  0.678936  1
  H  H269  1  0.123496  0.957823  0.697455  1
  H  H270  1  0.456829  0.624490  0.697455  1
  H  H271  1  0.071633  0.227506  0.713039  1
  H  H272  1  0.404967  0.894173  0.713039  1
  H  H273  1  0.528217  0.253274  0.676002  1
  H  H274  1  0.738300  0.560839  0.713039  1
  H  H275  1  0.861550  0.919941  0.676002  1
  H  H276  1  0.799925  0.240390  0.694521  1
  H  H277  1  0.194883  0.586608  0.676002  1
  H  H278  1  0.133258  0.907057  0.694521  1
  H  H279  1  0.466592  0.573723  0.694521  1
  H  H280  1  0.193015  0.396320  0.709953  1
  H  H281  1  0.526349  0.062987  0.709953  1
  H  H282  1  0.649598  0.422088  0.672916  1
  H  H283  1  0.859682  0.729653  0.709953  1
  H  H284  1  0.982932  0.088755  0.672916  1
  H  H285  1  0.921307  0.409204  0.691434  1
  H  H286  1  0.316265  0.755422  0.672916  1
  H  H287  1  0.254640  0.075871  0.691434  1
  H  H288  1  0.587974  0.742537  0.691434  1
