# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21282025
_cell_length_b   11.73008423
_cell_length_c   49.25572799
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.20965145
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H234
_cell_volume   4701.35818014
_cell_formula_units_Z   117
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  0.964657  0.581603  0.279753  1
  H  H2  1  0.297991  0.248270  0.279753  1
  H  H3  1  0.235071  0.582311  0.291852  1
  H  H4  1  0.631324  0.914937  0.279753  1
  H  H5  1  0.568404  0.248978  0.291852  1
  H  H6  1  0.682205  0.600410  0.268802  1
  H  H7  1  0.901737  0.915644  0.291852  1
  H  H8  1  0.015539  0.267077  0.268802  1
  H  H9  1  0.348872  0.933743  0.268802  1
  H  H10  1  0.904176  0.768621  0.260471  1
  H  H11  1  0.237509  0.435288  0.260471  1
  H  H12  1  0.195551  0.764995  0.271380  1
  H  H13  1  0.570842  0.101955  0.260471  1
  H  H14  1  0.528885  0.431662  0.271380  1
  H  H15  1  0.481439  0.750074  0.283506  1
  H  H16  1  0.862218  0.098328  0.271380  1
  H  H17  1  0.814773  0.416741  0.283506  1
  H  H18  1  0.148106  0.083408  0.283506  1
  H  H19  1  0.770748  0.562304  0.315674  1
  H  H20  1  0.104081  0.228971  0.315674  1
  H  H21  1  0.037501  0.558643  0.327161  1
  H  H22  1  0.437415  0.895638  0.315674  1
  H  H23  1  0.370834  0.225309  0.327161  1
  H  H24  1  0.500526  0.572418  0.304666  1
  H  H25  1  0.704168  0.891976  0.327161  1
  H  H26  1  0.833859  0.239085  0.304666  1
  H  H27  1  0.167193  0.905752  0.304666  1
  H  H28  1  0.758412  0.741634  0.298076  1
  H  H29  1  0.091746  0.408301  0.298076  1
  H  H30  1  0.030735  0.735781  0.307987  1
  H  H31  1  0.425079  0.074967  0.298076  1
  H  H32  1  0.364069  0.402448  0.307987  1
  H  H33  1  0.302994  0.729720  0.319543  1
  H  H34  1  0.697402  0.069115  0.307987  1
  H  H35  1  0.636327  0.396387  0.319543  1
  H  H36  1  0.969661  0.063053  0.319543  1
  H  H37  1  0.574548  0.543047  0.350405  1
  H  H38  1  0.907881  0.209714  0.350405  1
  H  H39  1  0.843387  0.536009  0.361735  1
  H  H40  1  0.241215  0.876380  0.350405  1
  H  H41  1  0.176720  0.202675  0.361735  1
  H  H42  1  0.305126  0.550394  0.338621  1
  H  H43  1  0.510053  0.869342  0.361735  1
  H  H44  1  0.638459  0.217060  0.338621  1
  H  H45  1  0.971793  0.883727  0.338621  1
  H  H46  1  0.573656  0.721135  0.331433  1
  H  H47  1  0.906989  0.387802  0.331433  1
  H  H48  1  0.844516  0.714352  0.343061  1
  H  H49  1  0.240323  0.054469  0.331433  1
  H  H50  1  0.177850  0.381019  0.343061  1
  H  H51  1  0.114460  0.707783  0.354164  1
  H  H52  1  0.511183  0.047685  0.343061  1
  H  H53  1  0.447793  0.374449  0.354164  1
  H  H54  1  0.781127  0.041116  0.354164  1
  H  H55  1  0.380929  0.521843  0.384609  1
  H  H56  1  0.714262  0.188510  0.384609  1
  H  H57  1  0.650344  0.514647  0.396159  1
  H  H58  1  0.047596  0.855176  0.384609  1
  H  H59  1  0.983677  0.181314  0.396159  1
  H  H60  1  0.111933  0.529420  0.373150  1
  H  H61  1  0.317011  0.847981  0.396159  1
  H  H62  1  0.445266  0.196087  0.373150  1
  H  H63  1  0.778600  0.862754  0.373150  1
  H  H64  1  0.383670  0.700091  0.365742  1
  H  H65  1  0.717004  0.366757  0.365742  1
  H  H66  1  0.653178  0.693162  0.377378  1
  H  H67  1  0.050337  0.033424  0.365742  1
  H  H68  1  0.986511  0.359829  0.377378  1
  H  H69  1  0.922626  0.686127  0.388842  1
  H  H70  1  0.319844  0.026495  0.377378  1
  H  H71  1  0.255959  0.352794  0.388842  1
  H  H72  1  0.589293  0.019461  0.388842  1
  H  H73  1  0.188680  0.500566  0.419105  1
  H  H74  1  0.522013  0.167232  0.419105  1
  H  H75  1  0.457943  0.493345  0.430591  1
  H  H76  1  0.855347  0.833899  0.419105  1
  H  H77  1  0.791277  0.160011  0.430591  1
  H  H78  1  0.919493  0.507676  0.407637  1
  H  H79  1  0.124610  0.826678  0.430591  1
  H  H80  1  0.252827  0.174342  0.407637  1
  H  H81  1  0.586160  0.841009  0.407637  1
  H  H82  1  0.191830  0.678955  0.400264  1
  H  H83  1  0.525163  0.345622  0.400264  1
  H  H84  1  0.461043  0.671670  0.411780  1
  H  H85  1  0.858497  0.012289  0.400264  1
  H  H86  1  0.794377  0.338337  0.411780  1
  H  H87  1  0.730321  0.664597  0.423310  1
  H  H88  1  0.127710  0.005003  0.411780  1
  H  H89  1  0.063654  0.331263  0.423310  1
  H  H90  1  0.396987  0.997930  0.423310  1
  H  H91  1  0.996465  0.479080  0.453587  1
  H  H92  1  0.329798  0.145747  0.453587  1
  H  H93  1  0.265713  0.471944  0.465075  1
  H  H94  1  0.663131  0.812413  0.453587  1
  H  H95  1  0.599046  0.138611  0.465075  1
  H  H96  1  0.727228  0.486174  0.442095  1
  H  H97  1  0.932380  0.805278  0.465075  1
  H  H98  1  0.060561  0.152841  0.442095  1
  H  H99  1  0.393894  0.819507  0.442095  1
  H  H100  1  0.999602  0.657488  0.434792  1
  H  H101  1  0.332935  0.324154  0.434792  1
  H  H102  1  0.268832  0.650320  0.446271  1
  H  H103  1  0.666268  0.990821  0.434792  1
  H  H104  1  0.602165  0.316986  0.446271  1
  H  H105  1  0.538073  0.643145  0.457771  1
  H  H106  1  0.935498  0.983653  0.446271  1
  H  H107  1  0.871407  0.309811  0.457771  1
  H  H108  1  0.204740  0.976478  0.457771  1
  H  H109  1  0.804214  0.457620  0.488061  1
  H  H110  1  0.137547  0.124287  0.488061  1
  H  H111  1  0.073468  0.450495  0.499551  1
  H  H112  1  0.470880  0.790954  0.488061  1
  H  H113  1  0.406802  0.117161  0.499551  1
  H  H114  1  0.534965  0.464775  0.476568  1
  H  H115  1  0.740135  0.783828  0.499551  1
  H  H116  1  0.868299  0.131441  0.476568  1
  H  H117  1  0.201632  0.798108  0.476568  1
  H  H118  1  0.807332  0.636016  0.469271  1
  H  H119  1  0.140665  0.302683  0.469271  1
  H  H120  1  0.076586  0.628891  0.480761  1
  H  H121  1  0.473998  0.969349  0.469271  1
  H  H122  1  0.409920  0.295557  0.480761  1
  H  H123  1  0.345835  0.621736  0.492254  1
  H  H124  1  0.743253  0.962224  0.480761  1
  H  H125  1  0.679168  0.288403  0.492254  1
  H  H126  1  0.012501  0.955070  0.492254  1
  H  H127  1  0.611969  0.436191  0.522551  1
  H  H128  1  0.945302  0.102858  0.522551  1
  H  H129  1  0.881198  0.429023  0.534029  1
  H  H130  1  0.278635  0.769524  0.522551  1
  H  H131  1  0.214532  0.095690  0.534029  1
  H  H132  1  0.342727  0.443366  0.511050  1
  H  H133  1  0.547865  0.762357  0.534029  1
  H  H134  1  0.676060  0.110033  0.511050  1
  H  H135  1  0.009393  0.776699  0.511050  1
  H  H136  1  0.615087  0.614566  0.503747  1
  H  H137  1  0.948420  0.281233  0.503747  1
  H  H138  1  0.884336  0.607431  0.515234  1
  H  H139  1  0.281754  0.947900  0.503747  1
  H  H140  1  0.217669  0.274098  0.515234  1
  H  H141  1  0.153572  0.600337  0.526727  1
  H  H142  1  0.551002  0.940764  0.515234  1
  H  H143  1  0.486906  0.267004  0.526727  1
  H  H144  1  0.820239  0.933670  0.526727  1
  H  H145  1  0.419757  0.414841  0.557042  1
  H  H146  1  0.753090  0.081507  0.557042  1
  H  H147  1  0.688970  0.407555  0.568557  1
  H  H148  1  0.086423  0.748174  0.557042  1
  H  H149  1  0.022304  0.074222  0.568557  1
  H  H150  1  0.150480  0.421914  0.545511  1
  H  H151  1  0.355637  0.740889  0.568557  1
  H  H152  1  0.483813  0.088581  0.545511  1
  H  H153  1  0.817146  0.755247  0.545511  1
  H  H154  1  0.422857  0.593166  0.538231  1
  H  H155  1  0.756190  0.259833  0.538231  1
  H  H156  1  0.692120  0.585945  0.549716  1
  H  H157  1  0.089523  0.926499  0.538231  1
  H  H158  1  0.025453  0.252612  0.549716  1
  H  H159  1  0.961307  0.578835  0.561185  1
  H  H160  1  0.358787  0.919278  0.549716  1
  H  H161  1  0.294640  0.245502  0.561185  1
  H  H162  1  0.627973  0.912168  0.561185  1
  H  H163  1  0.227623  0.393349  0.591444  1
  H  H164  1  0.560956  0.060015  0.591444  1
  H  H165  1  0.497130  0.386420  0.603080  1
  H  H166  1  0.894289  0.726682  0.591444  1
  H  H167  1  0.830463  0.053087  0.603080  1
  H  H168  1  0.958174  0.400383  0.579979  1
  H  H169  1  0.163797  0.719754  0.603080  1
  H  H170  1  0.291507  0.067050  0.579979  1
  H  H171  1  0.624841  0.733717  0.579979  1
  H  H172  1  0.230456  0.571863  0.572663  1
  H  H173  1  0.563790  0.238530  0.572663  1
  H  H174  1  0.499871  0.564668  0.584212  1
  H  H175  1  0.897123  0.905197  0.572663  1
  H  H176  1  0.833204  0.231334  0.584212  1
  H  H177  1  0.768867  0.557090  0.595672  1
  H  H178  1  0.166538  0.898001  0.584212  1
  H  H179  1  0.102201  0.223757  0.595672  1
  H  H180  1  0.435534  0.890424  0.595672  1
  H  H181  1  0.036284  0.372159  0.625760  1
  H  H182  1  0.369617  0.038826  0.625760  1
  H  H183  1  0.307144  0.365376  0.637389  1
  H  H184  1  0.702951  0.705492  0.625760  1
  H  H185  1  0.640477  0.032042  0.637389  1
  H  H186  1  0.766340  0.378728  0.614658  1
  H  H187  1  0.973811  0.698709  0.637389  1
  H  H188  1  0.099673  0.045395  0.614658  1
  H  H189  1  0.433007  0.712061  0.614658  1
  H  H190  1  0.037413  0.550502  0.607086  1
  H  H191  1  0.370747  0.217169  0.607086  1
  H  H192  1  0.306252  0.543464  0.618417  1
  H  H193  1  0.704080  0.883835  0.607086  1
  H  H194  1  0.639585  0.210130  0.618417  1
  H  H195  1  0.575674  0.536117  0.630200  1
  H  H196  1  0.972919  0.876797  0.618417  1
  H  H197  1  0.909007  0.202784  0.630200  1
  H  H198  1  0.242341  0.869450  0.630200  1
  H  H199  1  0.850065  0.350729  0.660835  1
  H  H200  1  0.183398  0.017396  0.660835  1
  H  H201  1  0.122388  0.344877  0.670745  1
  H  H202  1  0.516732  0.684063  0.660835  1
  H  H203  1  0.455721  0.011543  0.670745  1
  H  H204  1  0.577806  0.356791  0.649278  1
  H  H205  1  0.789055  0.678210  0.670745  1
  H  H206  1  0.911139  0.023457  0.649278  1
  H  H207  1  0.244473  0.690124  0.649278  1
  H  H208  1  0.843299  0.527868  0.641660  1
  H  H209  1  0.176633  0.194535  0.641660  1
  H  H210  1  0.110052  0.524207  0.653147  1
  H  H211  1  0.509966  0.861202  0.641660  1
  H  H212  1  0.443386  0.190873  0.653147  1
  H  H213  1  0.380274  0.514093  0.664156  1
  H  H214  1  0.776719  0.857540  0.653147  1
  H  H215  1  0.713608  0.180759  0.664156  1
  H  H216  1  0.046941  0.847426  0.664156  1
  H  H217  1  0.685249  0.321516  0.697441  1
  H  H218  1  0.018582  0.988182  0.697441  1
  H  H219  1  0.976624  0.317889  0.708351  1
  H  H220  1  0.351915  0.654849  0.697441  1
  H  H221  1  0.309958  0.984556  0.708351  1
  H  H222  1  0.399361  0.336436  0.685315  1
  H  H223  1  0.643291  0.651223  0.708351  1
  H  H224  1  0.732694  0.003103  0.685315  1
  H  H225  1  0.066027  0.669770  0.685315  1
  H  H226  1  0.645730  0.504200  0.676970  1
  H  H227  1  0.979063  0.170867  0.676970  1
  H  H228  1  0.916143  0.504908  0.689068  1
  H  H229  1  0.312396  0.837533  0.676970  1
  H  H230  1  0.249476  0.171574  0.689068  1
  H  H231  1  0.198595  0.486101  0.700020  1
  H  H232  1  0.582809  0.838241  0.689068  1
  H  H233  1  0.531928  0.152767  0.700020  1
  H  H234  1  0.865261  0.819434  0.700020  1
