# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.52069485
_cell_length_b   13.17831467
_cell_length_c   49.08123306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.43093480
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   7838.18255296
_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  0.931558  0.863116  0.301270  1
  H  H2  1  0.598225  0.863116  0.301270  1
  H  H3  1  0.551208  0.435750  0.282752  1
  H  H4  1  0.264891  0.863116  0.301270  1
  H  H5  1  0.217875  0.435750  0.282752  1
  H  H6  1  0.311908  0.290482  0.319789  1
  H  H7  1  0.884542  0.435750  0.282752  1
  H  H8  1  0.978574  0.290482  0.319789  1
  H  H9  1  0.645241  0.290482  0.319789  1
  H  H10  1  0.906302  0.812604  0.291322  1
  H  H11  1  0.572969  0.812604  0.291322  1
  H  H12  1  0.667001  0.667336  0.328359  1
  H  H13  1  0.239635  0.812604  0.291322  1
  H  H14  1  0.333668  0.667336  0.328359  1
  H  H15  1  0.286652  0.239970  0.309841  1
  H  H16  1  0.000335  0.667336  0.328359  1
  H  H17  1  0.953318  0.239970  0.309841  1
  H  H18  1  0.619985  0.239970  0.309841  1
  H  H19  1  0.074716  0.149433  0.292011  1
  H  H20  1  0.741383  0.149433  0.292011  1
  H  H21  1  0.835416  0.004165  0.329048  1
  H  H22  1  0.408050  0.149433  0.292011  1
  H  H23  1  0.502083  0.004165  0.329048  1
  H  H24  1  0.455066  0.576799  0.310529  1
  H  H25  1  0.168749  0.004165  0.329048  1
  H  H26  1  0.121733  0.576799  0.310529  1
  H  H27  1  0.788400  0.576799  0.310529  1
  H  H28  1  0.049460  0.098921  0.282063  1
  H  H29  1  0.716127  0.098921  0.282063  1
  H  H30  1  0.810160  0.953653  0.319100  1
  H  H31  1  0.382794  0.098921  0.282063  1
  H  H32  1  0.476827  0.953653  0.319100  1
  H  H33  1  0.429810  0.526287  0.300582  1
  H  H34  1  0.143493  0.953653  0.319100  1
  H  H35  1  0.096477  0.526287  0.300582  1
  H  H36  1  0.763143  0.526287  0.300582  1
  H  H37  1  0.072607  0.145215  0.356826  1
  H  H38  1  0.739274  0.145215  0.356826  1
  H  H39  1  0.692258  0.717848  0.338307  1
  H  H40  1  0.405941  0.145215  0.356826  1
  H  H41  1  0.358924  0.717848  0.338307  1
  H  H42  1  0.452957  0.572581  0.375344  1
  H  H43  1  0.025591  0.717848  0.338307  1
  H  H44  1  0.119624  0.572581  0.375344  1
  H  H45  1  0.786290  0.572581  0.375344  1
  H  H46  1  0.047351  0.094702  0.346878  1
  H  H47  1  0.714018  0.094702  0.346878  1
  H  H48  1  0.808051  0.949435  0.383915  1
  H  H49  1  0.380685  0.094702  0.346878  1
  H  H50  1  0.474717  0.949435  0.383915  1
  H  H51  1  0.427701  0.522069  0.365397  1
  H  H52  1  0.141384  0.949435  0.383915  1
  H  H53  1  0.094368  0.522069  0.365397  1
  H  H54  1  0.761034  0.522069  0.365397  1
  H  H55  1  0.215766  0.431532  0.347566  1
  H  H56  1  0.882432  0.431532  0.347566  1
  H  H57  1  0.976465  0.286264  0.384603  1
  H  H58  1  0.549099  0.431532  0.347566  1
  H  H59  1  0.643132  0.286264  0.384603  1
  H  H60  1  0.596116  0.858898  0.366085  1
  H  H61  1  0.309799  0.286264  0.384603  1
  H  H62  1  0.262782  0.858898  0.366085  1
  H  H63  1  0.929449  0.858898  0.366085  1
  H  H64  1  0.190510  0.381019  0.337619  1
  H  H65  1  0.857176  0.381019  0.337619  1
  H  H66  1  0.951209  0.235752  0.374656  1
  H  H67  1  0.523843  0.381019  0.337619  1
  H  H68  1  0.617876  0.235752  0.374656  1
  H  H69  1  0.570859  0.808386  0.356137  1
  H  H70  1  0.284543  0.235752  0.374656  1
  H  H71  1  0.237526  0.808386  0.356137  1
  H  H72  1  0.904193  0.808386  0.356137  1
  H  H73  1  0.213657  0.427313  0.412381  1
  H  H74  1  0.880323  0.427313  0.412381  1
  H  H75  1  0.833307  0.999947  0.393863  1
  H  H76  1  0.546990  0.427313  0.412381  1
  H  H77  1  0.499974  0.999947  0.393863  1
  H  H78  1  0.594006  0.854680  0.430900  1
  H  H79  1  0.166640  0.999947  0.393863  1
  H  H80  1  0.260673  0.854680  0.430900  1
  H  H81  1  0.927340  0.854680  0.430900  1
  H  H82  1  0.188401  0.376801  0.402434  1
  H  H83  1  0.855067  0.376801  0.402434  1
  H  H84  1  0.949100  0.231534  0.439471  1
  H  H85  1  0.521734  0.376801  0.402434  1
  H  H86  1  0.615767  0.231534  0.439471  1
  H  H87  1  0.568750  0.804167  0.420952  1
  H  H88  1  0.282433  0.231534  0.439471  1
  H  H89  1  0.235417  0.804167  0.420952  1
  H  H90  1  0.902084  0.804167  0.420952  1
  H  H91  1  0.356815  0.713630  0.403122  1
  H  H92  1  0.023482  0.713630  0.403122  1
  H  H93  1  0.117515  0.568363  0.440159  1
  H  H94  1  0.690148  0.713630  0.403122  1
  H  H95  1  0.784181  0.568363  0.440159  1
  H  H96  1  0.737165  0.140996  0.421641  1
  H  H97  1  0.450848  0.568363  0.440159  1
  H  H98  1  0.403832  0.140996  0.421641  1
  H  H99  1  0.070498  0.140996  0.421641  1
  H  H100  1  0.331559  0.663118  0.393174  1
  H  H101  1  0.998226  0.663118  0.393174  1
  H  H102  1  0.092259  0.517850  0.430211  1
  H  H103  1  0.664892  0.663118  0.393174  1
  H  H104  1  0.758925  0.517850  0.430211  1
  H  H105  1  0.711909  0.090484  0.411693  1
  H  H106  1  0.425592  0.517850  0.430211  1
  H  H107  1  0.378575  0.090484  0.411693  1
  H  H108  1  0.045242  0.090484  0.411693  1
  H  H109  1  0.354706  0.709412  0.467937  1
  H  H110  1  0.021373  0.709412  0.467937  1
  H  H111  1  0.974356  0.282046  0.449418  1
  H  H112  1  0.688039  0.709412  0.467937  1
  H  H113  1  0.641023  0.282046  0.449418  1
  H  H114  1  0.735056  0.136778  0.486455  1
  H  H115  1  0.307690  0.282046  0.449418  1
  H  H116  1  0.401722  0.136778  0.486455  1
  H  H117  1  0.068389  0.136778  0.486455  1
  H  H118  1  0.329450  0.658900  0.457989  1
  H  H119  1  0.996117  0.658900  0.457989  1
  H  H120  1  0.090149  0.513632  0.495026  1
  H  H121  1  0.662783  0.658900  0.457989  1
  H  H122  1  0.756816  0.513632  0.495026  1
  H  H123  1  0.709800  0.086266  0.476508  1
  H  H124  1  0.423483  0.513632  0.495026  1
  H  H125  1  0.376466  0.086266  0.476508  1
  H  H126  1  0.043133  0.086266  0.476508  1
  H  H127  1  0.497864  0.995729  0.458678  1
  H  H128  1  0.164531  0.995729  0.458678  1
  H  H129  1  0.258564  0.850461  0.495715  1
  H  H130  1  0.831198  0.995729  0.458678  1
  H  H131  1  0.925231  0.850461  0.495715  1
  H  H132  1  0.878214  0.423095  0.477196  1
  H  H133  1  0.591897  0.850461  0.495715  1
  H  H134  1  0.544881  0.423095  0.477196  1
  H  H135  1  0.211548  0.423095  0.477196  1
  H  H136  1  0.472608  0.945217  0.448730  1
  H  H137  1  0.139275  0.945217  0.448730  1
  H  H138  1  0.233308  0.799949  0.485767  1
  H  H139  1  0.805942  0.945217  0.448730  1
  H  H140  1  0.899975  0.799949  0.485767  1
  H  H141  1  0.852958  0.372583  0.467248  1
  H  H142  1  0.566641  0.799949  0.485767  1
  H  H143  1  0.519625  0.372583  0.467248  1
  H  H144  1  0.186291  0.372583  0.467248  1
  H  H145  1  0.495755  0.991511  0.523492  1
  H  H146  1  0.162422  0.991511  0.523492  1
  H  H147  1  0.115406  0.564145  0.504974  1
  H  H148  1  0.829089  0.991511  0.523492  1
  H  H149  1  0.782072  0.564145  0.504974  1
  H  H150  1  0.876105  0.418877  0.542011  1
  H  H151  1  0.448739  0.564145  0.504974  1
  H  H152  1  0.542772  0.418877  0.542011  1
  H  H153  1  0.209439  0.418877  0.542011  1
  H  H154  1  0.470499  0.940999  0.513545  1
  H  H155  1  0.137166  0.940999  0.513545  1
  H  H156  1  0.231199  0.795731  0.550582  1
  H  H157  1  0.803833  0.940999  0.513545  1
  H  H158  1  0.897866  0.795731  0.550582  1
  H  H159  1  0.850849  0.368365  0.532063  1
  H  H160  1  0.564532  0.795731  0.550582  1
  H  H161  1  0.517516  0.368365  0.532063  1
  H  H162  1  0.184182  0.368365  0.532063  1
  H  H163  1  0.638914  0.277828  0.514233  1
  H  H164  1  0.305581  0.277828  0.514233  1
  H  H165  1  0.399613  0.132560  0.551270  1
  H  H166  1  0.972247  0.277828  0.514233  1
  H  H167  1  0.066280  0.132560  0.551270  1
  H  H168  1  0.019264  0.705194  0.532752  1
  H  H169  1  0.732947  0.132560  0.551270  1
  H  H170  1  0.685930  0.705194  0.532752  1
  H  H171  1  0.352597  0.705194  0.532752  1
  H  H172  1  0.613658  0.227315  0.504285  1
  H  H173  1  0.280324  0.227315  0.504285  1
  H  H174  1  0.374357  0.082048  0.541322  1
  H  H175  1  0.946991  0.227315  0.504285  1
  H  H176  1  0.041024  0.082048  0.541322  1
  H  H177  1  0.994008  0.654682  0.522804  1
  H  H178  1  0.707691  0.082048  0.541322  1
  H  H179  1  0.660674  0.654682  0.522804  1
  H  H180  1  0.327341  0.654682  0.522804  1
  H  H181  1  0.636805  0.273610  0.579048  1
  H  H182  1  0.303471  0.273610  0.579048  1
  H  H183  1  0.256455  0.846243  0.560529  1
  H  H184  1  0.970138  0.273610  0.579048  1
  H  H185  1  0.923122  0.846243  0.560529  1
  H  H186  1  0.017155  0.700976  0.597566  1
  H  H187  1  0.589788  0.846243  0.560529  1
  H  H188  1  0.683821  0.700976  0.597566  1
  H  H189  1  0.350488  0.700976  0.597566  1
  H  H190  1  0.611549  0.223097  0.569100  1
  H  H191  1  0.278215  0.223097  0.569100  1
  H  H192  1  0.372248  0.077830  0.606137  1
  H  H193  1  0.944882  0.223097  0.569100  1
  H  H194  1  0.038915  0.077830  0.606137  1
  H  H195  1  0.991898  0.650464  0.587619  1
  H  H196  1  0.705582  0.077830  0.606137  1
  H  H197  1  0.658565  0.650464  0.587619  1
  H  H198  1  0.325232  0.650464  0.587619  1
  H  H199  1  0.779963  0.559926  0.569789  1
  H  H200  1  0.446630  0.559926  0.569789  1
  H  H201  1  0.540663  0.414659  0.606826  1
  H  H202  1  0.113297  0.559926  0.569789  1
  H  H203  1  0.207329  0.414659  0.606826  1
  H  H204  1  0.160313  0.987293  0.588307  1
  H  H205  1  0.873996  0.414659  0.606826  1
  H  H206  1  0.826980  0.987293  0.588307  1
  H  H207  1  0.493646  0.987293  0.588307  1
  H  H208  1  0.754707  0.509414  0.559841  1
  H  H209  1  0.421374  0.509414  0.559841  1
  H  H210  1  0.515407  0.364147  0.596878  1
  H  H211  1  0.088040  0.509414  0.559841  1
  H  H212  1  0.182073  0.364147  0.596878  1
  H  H213  1  0.135057  0.936780  0.578359  1
  H  H214  1  0.848740  0.364147  0.596878  1
  H  H215  1  0.801724  0.936780  0.578359  1
  H  H216  1  0.468390  0.936780  0.578359  1
  H  H217  1  0.777854  0.555708  0.634603  1
  H  H218  1  0.444521  0.555708  0.634603  1
  H  H219  1  0.397504  0.128342  0.616085  1
  H  H220  1  0.111187  0.555708  0.634603  1
  H  H221  1  0.064171  0.128342  0.616085  1
  H  H222  1  0.158204  0.983074  0.653122  1
  H  H223  1  0.730838  0.128342  0.616085  1
  H  H224  1  0.824871  0.983074  0.653122  1
  H  H225  1  0.491537  0.983074  0.653122  1
  H  H226  1  0.752598  0.505196  0.624656  1
  H  H227  1  0.419265  0.505196  0.624656  1
  H  H228  1  0.513298  0.359928  0.661693  1
  H  H229  1  0.085931  0.505196  0.624656  1
  H  H230  1  0.179964  0.359928  0.661693  1
  H  H231  1  0.132948  0.932562  0.643174  1
  H  H232  1  0.846631  0.359928  0.661693  1
  H  H233  1  0.799614  0.932562  0.643174  1
  H  H234  1  0.466281  0.932562  0.643174  1
  H  H235  1  0.921013  0.842025  0.625344  1
  H  H236  1  0.587679  0.842025  0.625344  1
  H  H237  1  0.681712  0.696758  0.662381  1
  H  H238  1  0.254346  0.842025  0.625344  1
  H  H239  1  0.348379  0.696758  0.662381  1
  H  H240  1  0.301362  0.269391  0.643863  1
  H  H241  1  0.015045  0.696758  0.662381  1
  H  H242  1  0.968029  0.269391  0.643863  1
  H  H243  1  0.634696  0.269391  0.643863  1
  H  H244  1  0.895756  0.791513  0.615397  1
  H  H245  1  0.562423  0.791513  0.615397  1
  H  H246  1  0.656456  0.646245  0.652434  1
  H  H247  1  0.229090  0.791513  0.615397  1
  H  H248  1  0.323123  0.646245  0.652434  1
  H  H249  1  0.276106  0.218879  0.633915  1
  H  H250  1  0.989789  0.646245  0.652434  1
  H  H251  1  0.942773  0.218879  0.633915  1
  H  H252  1  0.609440  0.218879  0.633915  1
  H  H253  1  0.918903  0.837807  0.690159  1
  H  H254  1  0.585570  0.837807  0.690159  1
  H  H255  1  0.538554  0.410441  0.671641  1
  H  H256  1  0.252237  0.837807  0.690159  1
  H  H257  1  0.205220  0.410441  0.671641  1
  H  H258  1  0.299253  0.265173  0.708678  1
  H  H259  1  0.871887  0.410441  0.671641  1
  H  H260  1  0.965920  0.265173  0.708678  1
  H  H261  1  0.632587  0.265173  0.708678  1
  H  H262  1  0.893647  0.787295  0.680211  1
  H  H263  1  0.560314  0.787295  0.680211  1
  H  H264  1  0.654347  0.642027  0.717248  1
  H  H265  1  0.226981  0.787295  0.680211  1
  H  H266  1  0.321014  0.642027  0.717248  1
  H  H267  1  0.273997  0.214661  0.698730  1
  H  H268  1  0.987680  0.642027  0.717248  1
  H  H269  1  0.940664  0.214661  0.698730  1
  H  H270  1  0.607330  0.214661  0.698730  1
  H  H271  1  0.062062  0.124124  0.680900  1
  H  H272  1  0.728729  0.124124  0.680900  1
  H  H273  1  0.822761  0.978856  0.717937  1
  H  H274  1  0.395395  0.124124  0.680900  1
  H  H275  1  0.489428  0.978856  0.717937  1
  H  H276  1  0.442412  0.551490  0.699418  1
  H  H277  1  0.156095  0.978856  0.717937  1
  H  H278  1  0.109078  0.551490  0.699418  1
  H  H279  1  0.775745  0.551490  0.699418  1
  H  H280  1  0.036806  0.073612  0.670952  1
  H  H281  1  0.703472  0.073612  0.670952  1
  H  H282  1  0.797505  0.928344  0.707989  1
  H  H283  1  0.370139  0.073612  0.670952  1
  H  H284  1  0.464172  0.928344  0.707989  1
  H  H285  1  0.417156  0.500978  0.689471  1
  H  H286  1  0.130839  0.928344  0.707989  1
  H  H287  1  0.083822  0.500978  0.689471  1
  H  H288  1  0.750489  0.500978  0.689471  1
