# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67111440
_cell_length_b   24.88014430
_cell_length_c   58.10233446
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.66625748
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H312
_cell_volume   6692.18250317
_cell_formula_units_Z   156
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  0.576590  0.776867  0.206158  1
  H  H2  1  1.076590  0.776867  0.206158  1
  H  H3  1  0.736408  0.112034  0.199465  1
  H  H4  1  0.392336  0.449785  0.190836  1
  H  H5  1  0.236408  0.112034  0.199465  1
  H  H6  1  0.892336  0.449785  0.190836  1
  H  H7  1  0.276295  0.697330  0.192380  1
  H  H8  1  0.776295  0.697330  0.192380  1
  H  H9  1  0.927910  0.035213  0.184430  1
  H  H10  1  1.115957  0.363431  0.198337  1
  H  H11  1  0.427910  0.035213  0.184430  1
  H  H12  1  0.615957  0.363431  0.198337  1
  H  H13  1  0.986408  0.612034  0.199465  1
  H  H14  1  0.486408  0.612034  0.199465  1
  H  H15  1  0.642336  0.949785  0.190836  1
  H  H16  1  0.826590  0.276867  0.206158  1
  H  H17  1  1.142336  0.949785  0.190836  1
  H  H18  1  0.326590  0.276867  0.206158  1
  H  H19  1  0.365957  0.863431  0.198337  1
  H  H20  1  0.865957  0.863431  0.198337  1
  H  H21  1  0.526295  0.197330  0.192380  1
  H  H22  1  0.177910  0.535213  0.184430  1
  H  H23  1  1.026295  0.197330  0.192380  1
  H  H24  1  0.677910  0.535213  0.184430  1
  H  H25  1  0.305743  0.761311  0.240611  1
  H  H26  1  0.805743  0.761311  0.240611  1
  H  H27  1  0.469207  0.097175  0.233368  1
  H  H28  1  1.114348  0.434242  0.225225  1
  H  H29  1  0.969207  0.097175  0.233368  1
  H  H30  1  0.614348  0.434242  0.225225  1
  H  H31  1  1.011438  0.684181  0.226360  1
  H  H32  1  0.511438  0.684181  0.226360  1
  H  H33  1  0.650787  0.020346  0.218526  1
  H  H34  1  0.840607  0.347903  0.232961  1
  H  H35  1  0.150787  0.020346  0.218526  1
  H  H36  1  0.340607  0.347903  0.232961  1
  H  H37  1  0.719207  0.597175  0.233368  1
  H  H38  1  0.219207  0.597175  0.233368  1
  H  H39  1  0.364348  0.934242  0.225225  1
  H  H40  1  0.555743  0.261311  0.240611  1
  H  H41  1  0.864348  0.934242  0.225225  1
  H  H42  1  1.055743  0.261311  0.240611  1
  H  H43  1  1.090607  0.847903  0.232961  1
  H  H44  1  0.590607  0.847903  0.232961  1
  H  H45  1  0.261438  0.184181  0.226360  1
  H  H46  1  0.900787  0.520346  0.218526  1
  H  H47  1  0.761438  0.184181  0.226360  1
  H  H48  1  0.400787  0.520346  0.218526  1
  H  H49  1  1.036302  0.745833  0.274917  1
  H  H50  1  0.536302  0.745833  0.274917  1
  H  H51  1  0.201161  0.081921  0.267019  1
  H  H52  1  0.836967  0.418658  0.259200  1
  H  H53  1  0.701161  0.081921  0.267019  1
  H  H54  1  0.336967  0.418658  0.259200  1
  H  H55  1  0.755543  0.669034  0.259536  1
  H  H56  1  0.255543  0.669034  0.259536  1
  H  H57  1  0.374730  0.005205  0.252054  1
  H  H58  1  0.564605  0.332353  0.267178  1
  H  H59  1  0.874730  0.005205  0.252054  1
  H  H60  1  1.064605  0.332353  0.267178  1
  H  H61  1  0.451161  0.581921  0.267019  1
  H  H62  1  0.951161  0.581921  0.267019  1
  H  H63  1  1.086967  0.918658  0.259200  1
  H  H64  1  0.286302  0.245833  0.274917  1
  H  H65  1  0.586967  0.918658  0.259200  1
  H  H66  1  0.786302  0.245833  0.274917  1
  H  H67  1  0.814605  0.832353  0.267178  1
  H  H68  1  0.314605  0.832353  0.267178  1
  H  H69  1  1.005543  0.169034  0.259536  1
  H  H70  1  0.624730  0.505205  0.252054  1
  H  H71  1  0.505543  0.169034  0.259536  1
  H  H72  1  1.124730  0.505205  0.252054  1
  H  H73  1  0.763933  0.731405  0.309491  1
  H  H74  1  0.263933  0.731405  0.309491  1
  H  H75  1  0.937393  0.067056  0.300863  1
  H  H76  1  0.557426  0.403551  0.293354  1
  H  H77  1  0.437393  0.067056  0.300863  1
  H  H78  1  1.057426  0.403551  0.293354  1
  H  H79  1  0.509432  0.654378  0.292759  1
  H  H80  1  1.009432  0.654378  0.292759  1
  H  H81  1  1.097760  -0.009962  0.285626  1
  H  H82  1  0.283881  0.317574  0.301563  1
  H  H83  1  0.597760  -0.009962  0.285626  1
  H  H84  1  0.783881  0.317574  0.301563  1
  H  H85  1  0.187393  0.567056  0.300863  1
  H  H86  1  0.687393  0.567056  0.300863  1
  H  H87  1  0.807426  0.903551  0.293354  1
  H  H88  1  1.013933  0.231405  0.309491  1
  H  H89  1  0.307426  0.903551  0.293354  1
  H  H90  1  0.513933  0.231405  0.309491  1
  H  H91  1  0.533881  0.817574  0.301563  1
  H  H92  1  1.033881  0.817574  0.301563  1
  H  H93  1  0.759432  0.154378  0.292759  1
  H  H94  1  0.347760  0.490038  0.285626  1
  H  H95  1  0.259432  0.154378  0.292759  1
  H  H96  1  0.847760  0.490038  0.285626  1
  H  H97  1  0.477145  0.718833  0.344344  1
  H  H98  1  0.977145  0.718833  0.344344  1
  H  H99  1  0.699640  0.054880  0.335292  1
  H  H100  1  0.273520  0.389835  0.327616  1
  H  H101  1  0.199640  0.054880  0.335292  1
  H  H102  1  0.773520  0.389835  0.327616  1
  H  H103  1  0.278117  0.640423  0.326135  1
  H  H104  1  0.778117  0.640423  0.326135  1
  H  H105  1  0.815922  -0.024029  0.319294  1
  H  H106  1  0.996264  0.304323  0.336011  1
  H  H107  1  0.315922  -0.024029  0.319294  1
  H  H108  1  0.496264  0.304323  0.336011  1
  H  H109  1  0.949640  0.554880  0.335292  1
  H  H110  1  0.449640  0.554880  0.335292  1
  H  H111  1  0.523520  0.889835  0.327616  1
  H  H112  1  0.727145  0.218833  0.344344  1
  H  H113  1  1.023520  0.889835  0.327616  1
  H  H114  1  0.227145  0.218833  0.344344  1
  H  H115  1  0.246264  0.804323  0.336011  1
  H  H116  1  0.746264  0.804323  0.336011  1
  H  H117  1  0.528117  0.140423  0.326135  1
  H  H118  1  1.065922  0.475971  0.319294  1
  H  H119  1  1.028117  0.140423  0.326135  1
  H  H120  1  0.565922  0.475971  0.319294  1
  H  H121  1  0.192458  0.715298  0.378926  1
  H  H122  1  0.692458  0.715298  0.378926  1
  H  H123  1  0.516580  0.048925  0.370628  1
  H  H124  1  0.989220  0.381023  0.361967  1
  H  H125  1  1.016580  0.048925  0.370628  1
  H  H126  1  0.489220  0.381023  0.361967  1
  H  H127  1  1.093402  0.631434  0.360644  1
  H  H128  1  0.593402  0.631434  0.360644  1
  H  H129  1  0.523797  0.964522  0.353160  1
  H  H130  1  0.713902  0.298094  0.370330  1
  H  H131  1  1.023797  0.964522  0.353160  1
  H  H132  1  0.213902  0.298094  0.370330  1
  H  H133  1  0.766580  0.548925  0.370628  1
  H  H134  1  0.266580  0.548925  0.370628  1
  H  H135  1  0.239220  0.881023  0.361967  1
  H  H136  1  0.442458  0.215298  0.378926  1
  H  H137  1  0.739220  0.881023  0.361967  1
  H  H138  1  0.942458  0.215298  0.378926  1
  H  H139  1  0.963902  0.798094  0.370330  1
  H  H140  1  0.463902  0.798094  0.370330  1
  H  H141  1  0.343402  0.131434  0.360644  1
  H  H142  1  0.773797  0.464522  0.353160  1
  H  H143  1  0.843402  0.131434  0.360644  1
  H  H144  1  0.273797  0.464522  0.353160  1
  H  H145  1  0.905194  0.718508  0.413058  1
  H  H146  1  0.405194  0.718508  0.413058  1
  H  H147  1  0.334998  0.051587  0.405579  1
  H  H148  1  0.714808  0.384930  0.395850  1
  H  H149  1  0.834998  0.051587  0.405579  1
  H  H150  1  0.214808  0.384930  0.395850  1
  H  H151  1  0.911748  0.634088  0.395589  1
  H  H152  1  0.411748  0.634088  0.395589  1
  H  H153  1  0.236327  0.967714  0.387285  1
  H  H154  1  0.439567  0.302007  0.404208  1
  H  H155  1  0.736327  0.967714  0.387285  1
  H  H156  1  0.939567  0.302007  0.404208  1
  H  H157  1  0.584998  0.551587  0.405579  1
  H  H158  1  1.084998  0.551587  0.405579  1
  H  H159  1  0.964808  0.884930  0.395850  1
  H  H160  1  0.155194  0.218508  0.413058  1
  H  H161  1  0.464808  0.884930  0.395850  1
  H  H162  1  0.655194  0.218508  0.413058  1
  H  H163  1  0.689567  0.802007  0.404208  1
  H  H164  1  0.189567  0.802007  0.404208  1
  H  H165  1  0.161748  0.134088  0.395589  1
  H  H166  1  0.486327  0.467714  0.387285  1
  H  H167  1  0.661748  0.134088  0.395589  1
  H  H168  1  0.986327  0.467714  0.387285  1
  H  H169  1  0.613078  0.707081  0.446948  1
  H  H170  1  1.113078  0.707081  0.446948  1
  H  H171  1  0.150210  0.042649  0.440094  1
  H  H172  1  0.432560  0.378737  0.430161  1
  H  H173  1  0.650210  0.042649  0.440094  1
  H  H174  1  0.932560  0.378737  0.430161  1
  H  H175  1  0.728907  0.628178  0.430927  1
  H  H176  1  0.228907  0.628178  0.430927  1
  H  H177  1  0.951763  0.964229  0.421843  1
  H  H178  1  0.155330  0.293218  0.438557  1
  H  H179  1  0.451763  0.964229  0.421843  1
  H  H180  1  0.655330  0.293218  0.438557  1
  H  H181  1  0.400210  0.542649  0.440094  1
  H  H182  1  0.900210  0.542649  0.440094  1
  H  H183  1  0.682560  0.878737  0.430161  1
  H  H184  1  0.863078  0.207081  0.446948  1
  H  H185  1  0.182560  0.878737  0.430161  1
  H  H186  1  0.363078  0.207081  0.446948  1
  H  H187  1  0.405330  0.793218  0.438557  1
  H  H188  1  0.905330  0.793218  0.438557  1
  H  H189  1  0.978907  0.128178  0.430927  1
  H  H190  1  0.201763  0.464229  0.421843  1
  H  H191  1  0.478907  0.128178  0.430927  1
  H  H192  1  0.701763  0.464229  0.421843  1
  H  H193  1  0.331429  0.693004  0.480654  1
  H  H194  1  0.831429  0.693004  0.480654  1
  H  H195  1  0.918542  0.028643  0.473470  1
  H  H196  1  1.145117  0.365469  0.464587  1
  H  H197  1  0.418542  0.028643  0.473470  1
  H  H198  1  0.645117  0.365469  0.464587  1
  H  H199  1  0.491417  0.616051  0.465363  1
  H  H200  1  0.991417  0.616051  0.465363  1
  H  H201  1  0.664652  0.951667  0.456681  1
  H  H202  1  0.871509  0.279515  0.472827  1
  H  H203  1  0.164652  0.951667  0.456681  1
  H  H204  1  0.371509  0.279515  0.472827  1
  H  H205  1  0.168542  0.528643  0.473470  1
  H  H206  1  0.668542  0.528643  0.473470  1
  H  H207  1  0.395117  0.865469  0.464587  1
  H  H208  1  0.581429  0.193004  0.480654  1
  H  H209  1  0.895117  0.865469  0.464587  1
  H  H210  1  1.081429  0.193004  0.480654  1
  H  H211  1  1.121509  0.779515  0.472827  1
  H  H212  1  0.621509  0.779515  0.472827  1
  H  H213  1  0.741417  0.116051  0.465363  1
  H  H214  1  0.914652  0.451667  0.456681  1
  H  H215  1  0.241417  0.116051  0.465363  1
  H  H216  1  0.414652  0.451667  0.456681  1
  H  H217  1  1.055081  0.677717  0.514264  1
  H  H218  1  0.555081  0.677717  0.514264  1
  H  H219  1  0.671996  0.013924  0.506721  1
  H  H220  1  0.864362  0.350746  0.498975  1
  H  H221  1  0.171996  0.013924  0.506721  1
  H  H222  1  0.364362  0.350746  0.498975  1
  H  H223  1  0.227575  0.601018  0.499181  1
  H  H224  1  0.727575  0.601018  0.499181  1
  H  H225  1  0.391786  0.937167  0.491215  1
  H  H226  1  0.592469  0.264421  0.507010  1
  H  H227  1  0.891786  0.937167  0.491215  1
  H  H228  1  1.092469  0.264421  0.507010  1
  H  H229  1  0.921996  0.513924  0.506721  1
  H  H230  1  0.421996  0.513924  0.506721  1
  H  H231  1  1.114362  0.850746  0.498975  1
  H  H232  1  0.305081  0.177717  0.514264  1
  H  H233  1  0.614362  0.850746  0.498975  1
  H  H234  1  0.805081  0.177717  0.514264  1
  H  H235  1  0.842469  0.764421  0.507010  1
  H  H236  1  0.342469  0.764421  0.507010  1
  H  H237  1  0.477575  0.101018  0.499181  1
  H  H238  1  0.641786  0.437167  0.491215  1
  H  H239  1  0.977575  0.101018  0.499181  1
  H  H240  1  1.141786  0.437167  0.491215  1
  H  H241  1  0.780667  0.662601  0.547951  1
  H  H242  1  0.280667  0.662601  0.547951  1
  H  H243  1  0.415840  -0.000994  0.540049  1
  H  H244  1  0.587718  0.335455  0.533251  1
  H  H245  1  0.915840  -0.000994  0.540049  1
  H  H246  1  1.087718  0.335455  0.533251  1
  H  H247  1  0.958789  0.585883  0.532948  1
  H  H248  1  0.458789  0.585883  0.532948  1
  H  H249  1  1.120873  0.921962  0.525632  1
  H  H250  1  0.316246  0.248920  0.541039  1
  H  H251  1  0.620873  0.921962  0.525632  1
  H  H252  1  0.816246  0.248920  0.541039  1
  H  H253  1  0.665840  0.499006  0.540049  1
  H  H254  1  0.165840  0.499006  0.540049  1
  H  H255  1  0.837718  0.835455  0.533251  1
  H  H256  1  1.030667  0.162601  0.547951  1
  H  H257  1  0.337718  0.835455  0.533251  1
  H  H258  1  0.530667  0.162601  0.547951  1
  H  H259  1  0.566246  0.748920  0.541039  1
  H  H260  1  1.066246  0.748920  0.541039  1
  H  H261  1  0.208789  0.085883  0.532948  1
  H  H262  1  0.370873  0.421962  0.525632  1
  H  H263  1  0.708789  0.085883  0.532948  1
  H  H264  1  0.870873  0.421962  0.525632  1
  H  H265  1  0.505552  0.647474  0.581473  1
  H  H266  1  1.005552  0.647474  0.581473  1
  H  H267  1  0.151239  -0.016015  0.573389  1
  H  H268  1  0.313154  0.319680  0.567389  1
  H  H269  1  0.651239  -0.016015  0.573389  1
  H  H270  1  0.813154  0.319680  0.567389  1
  H  H271  1  0.689888  0.570712  0.566620  1
  H  H272  1  0.189888  0.570712  0.566620  1
  H  H273  1  0.847369  0.906254  0.559928  1
  H  H274  1  1.040196  0.233432  0.574981  1
  H  H275  1  0.347369  0.906254  0.559928  1
  H  H276  1  0.540196  0.233432  0.574981  1
  H  H277  1  0.401239  0.483985  0.573389  1
  H  H278  1  0.901239  0.483985  0.573389  1
  H  H279  1  0.563154  0.819680  0.567389  1
  H  H280  1  0.755552  0.147474  0.581473  1
  H  H281  1  1.063154  0.819680  0.567389  1
  H  H282  1  0.255552  0.147474  0.581473  1
  H  H283  1  0.290196  0.733432  0.574981  1
  H  H284  1  0.790196  0.733432  0.574981  1
  H  H285  1  0.939888  0.070712  0.566620  1
  H  H286  1  1.097369  0.406254  0.559928  1
  H  H287  1  0.439888  0.070712  0.566620  1
  H  H288  1  0.597369  0.406254  0.559928  1
  H  H289  1  0.228871  0.632622  0.615550  1
  H  H290  1  0.728871  0.632622  0.615550  1
  H  H291  1  0.882469  0.970704  0.607410  1
  H  H292  1  1.038588  0.304149  0.601972  1
  H  H293  1  0.382469  0.970704  0.607410  1
  H  H294  1  0.538588  0.304149  0.601972  1
  H  H295  1  0.422022  0.555901  0.600557  1
  H  H296  1  0.922022  0.555901  0.600557  1
  H  H297  1  0.577537  0.890694  0.594282  1
  H  H298  1  0.763093  0.217894  0.609334  1
  H  H299  1  1.077537  0.890694  0.594282  1
  H  H300  1  0.263093  0.217894  0.609334  1
  H  H301  1  1.132469  0.470704  0.607410  1
  H  H302  1  0.632469  0.470704  0.607410  1
  H  H303  1  0.288588  0.804149  0.601972  1
  H  H304  1  0.478871  0.132622  0.615550  1
  H  H305  1  0.788588  0.804149  0.601972  1
  H  H306  1  0.978871  0.132622  0.615550  1
  H  H307  1  1.013093  0.717894  0.609334  1
  H  H308  1  0.513093  0.717894  0.609334  1
  H  H309  1  0.672022  0.055901  0.600557  1
  H  H310  1  0.827537  0.390694  0.594282  1
  H  H311  1  0.172022  0.055901  0.600557  1
  H  H312  1  0.327537  0.390694  0.594282  1
