# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12399309
_cell_length_b   11.78777497
_cell_length_c   51.78150800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.38422358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4273.98090034
_cell_formula_units_Z   108
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  1.044739  0.254309  0.246291  1
  H  H2  1  0.379149  0.922817  0.244956  1
  H  H3  1  0.447609  0.257687  0.227399  1
  H  H4  1  0.810982  0.264149  0.212747  1
  H  H5  1  1.056397  0.896224  0.250153  1
  H  H6  1  0.387846  0.563128  0.250250  1
  H  H7  1  0.714945  0.587903  0.245248  1
  H  H8  1  0.760977  0.925992  0.228049  1
  H  H9  1  1.093180  0.592737  0.228162  1
  H  H10  1  0.931288  0.081737  0.231595  1
  H  H11  1  0.266001  0.748928  0.231083  1
  H  H12  1  0.259035  0.107531  0.226326  1
  H  H13  1  0.558345  0.074109  0.247484  1
  H  H14  1  0.890773  0.742278  0.247695  1
  H  H15  1  0.227812  0.405322  0.246842  1
  H  H16  1  0.597985  0.418795  0.231599  1
  H  H17  1  0.594825  0.767969  0.226587  1
  H  H18  1  0.930105  0.434673  0.226312  1
  H  H19  1  0.932221  0.201612  0.286025  1
  H  H20  1  0.262764  0.869877  0.284869  1
  H  H21  1  0.331920  0.211155  0.267519  1
  H  H22  1  0.719933  0.225581  0.253281  1
  H  H23  1  0.942993  0.837573  0.289507  1
  H  H24  1  0.276022  0.504525  0.289495  1
  H  H25  1  0.596535  0.536513  0.284850  1
  H  H26  1  0.659711  0.877017  0.268030  1
  H  H27  1  0.995427  0.542138  0.267901  1
  H  H28  1  0.830306  0.029431  0.271358  1
  H  H29  1  1.163377  0.696564  0.271026  1
  H  H30  1  1.151170  0.063137  0.266439  1
  H  H31  1  0.440079  0.018058  0.286597  1
  H  H32  1  0.774133  0.685135  0.286514  1
  H  H33  1  1.108030  0.351944  0.286429  1
  H  H34  1  0.496101  0.364534  0.271222  1
  H  H35  1  0.483623  0.728950  0.266493  1
  H  H36  1  0.816950  0.394816  0.266216  1
  H  H37  1  0.816687  0.146016  0.324711  1
  H  H38  1  1.149447  0.813752  0.324050  1
  H  H39  1  0.218244  0.156917  0.306666  1
  H  H40  1  0.606868  0.168551  0.290874  1
  H  H41  1  0.829275  0.781643  0.328578  1
  H  H42  1  1.161884  0.448768  0.328579  1
  H  H43  1  0.483273  0.480591  0.323998  1
  H  H44  1  0.546923  0.822809  0.306755  1
  H  H45  1  0.880105  0.489415  0.306641  1
  H  H46  1  0.717075  -0.026019  0.309712  1
  H  H47  1  1.050201  0.641147  0.309459  1
  H  H48  1  1.039755  0.007217  0.305253  1
  H  H49  1  0.326501  -0.036688  0.325970  1
  H  H50  1  0.659330  0.630605  0.325823  1
  H  H51  1  0.993476  0.297052  0.325957  1
  H  H52  1  0.383564  0.308900  0.309672  1
  H  H53  1  0.371621  0.673621  0.305118  1
  H  H54  1  0.705607  0.339674  0.305062  1
  H  H55  1  0.702809  0.091673  0.363677  1
  H  H56  1  1.035605  0.759073  0.363221  1
  H  H57  1  1.102789  0.102609  0.345720  1
  H  H58  1  0.495464  0.113747  0.329393  1
  H  H59  1  0.715591  0.726868  0.367729  1
  H  H60  1  1.048632  0.393684  0.367741  1
  H  H61  1  0.369180  0.425914  0.363150  1
  H  H62  1  0.433743  0.768883  0.345766  1
  H  H63  1  0.767152  0.435597  0.345713  1
  H  H64  1  0.605181  0.919704  0.348625  1
  H  H65  1  0.937845  0.586906  0.348419  1
  H  H66  1  0.925676  0.952422  0.344059  1
  H  H67  1  0.211690  0.908878  0.365125  1
  H  H68  1  0.544712  0.575949  0.365003  1
  H  H69  1  0.878451  0.242322  0.365149  1
  H  H70  1  0.271853  0.253918  0.348589  1
  H  H71  1  0.258217  0.619098  0.343909  1
  H  H72  1  0.592176  0.285531  0.343975  1
  H  H73  1  0.588772  0.037346  0.402645  1
  H  H74  1  0.921861  0.704532  0.402342  1
  H  H75  1  0.988417  0.048219  0.384795  1
  H  H76  1  0.382073  0.059466  0.368178  1
  H  H77  1  0.601722  0.672316  0.406809  1
  H  H78  1  0.934892  0.339024  0.406834  1
  H  H79  1  0.255468  0.371288  0.402288  1
  H  H80  1  0.320175  0.714691  0.384779  1
  H  H81  1  0.653498  0.381431  0.384765  1
  H  H82  1  0.491603  0.865539  0.387553  1
  H  H83  1  0.824544  0.532545  0.387404  1
  H  H84  1  0.812222  0.898053  0.383085  1
  H  H85  1  1.097781  0.854467  0.404244  1
  H  H86  1  0.430725  0.521416  0.404136  1
  H  H87  1  0.764393  0.187801  0.404288  1
  H  H88  1  1.158387  0.199360  0.387532  1
  H  H89  1  1.144935  0.564789  0.382919  1
  H  H90  1  0.478859  0.231247  0.383015  1
  H  H91  1  0.474827  -0.016953  0.441658  1
  H  H92  1  0.807956  0.650131  0.441415  1
  H  H93  1  0.874297  -0.006131  0.423852  1
  H  H94  1  0.268432  0.005187  0.407112  1
  H  H95  1  0.487852  0.617926  0.445877  1
  H  H96  1  0.821113  0.284549  0.445924  1
  H  H97  1  1.141562  0.316838  0.441383  1
  H  H98  1  0.206599  0.660436  0.423809  1
  H  H99  1  0.539943  0.327125  0.423828  1
  H  H100  1  0.377990  0.811288  0.426560  1
  H  H101  1  0.710989  0.478193  0.426438  1
  H  H102  1  0.698260  0.843683  0.422096  1
  H  H103  1  0.983884  0.800130  0.443286  1
  H  H104  1  0.316901  0.466987  0.443201  1
  H  H105  1  0.650447  0.133396  0.443349  1
  H  H106  1  1.044800  0.144894  0.426558  1
  H  H107  1  1.031260  0.510412  0.421949  1
  H  H108  1  0.365027  0.176933  0.422049  1
  H  H109  1  0.360944  0.928721  0.480712  1
  H  H110  1  0.694013  0.595857  0.480474  1
  H  H111  1  0.760461  0.939503  0.462877  1
  H  H112  1  1.154615  0.950889  0.446131  1
  H  H113  1  0.373781  0.563689  0.484926  1
  H  H114  1  0.707168  0.230271  0.485010  1
  H  H115  1  1.027724  0.262486  0.480461  1
  H  H116  1  1.092897  0.606113  0.462813  1
  H  H117  1  0.426264  0.272766  0.462866  1
  H  H118  1  0.264057  0.757038  0.465610  1
  H  H119  1  0.597147  0.423886  0.465509  1
  H  H120  1  0.584303  0.789331  0.461153  1
  H  H121  1  0.870369  0.745820  0.482272  1
  H  H122  1  0.203268  0.412645  0.482207  1
  H  H123  1  0.536894  0.079026  0.482366  1
  H  H124  1  0.930918  0.090536  0.465630  1
  H  H125  1  0.917369  0.456061  0.461010  1
  H  H126  1  0.251182  0.122567  0.461116  1
  H  H127  1  0.246947  0.874433  0.519803  1
  H  H128  1  0.579842  0.541767  0.519502  1
  H  H129  1  0.647045  0.885103  0.501873  1
  H  H130  1  1.040640  0.896621  0.485208  1
  H  H131  1  0.259607  0.509733  0.523984  1
  H  H132  1  0.593192  0.176128  0.524088  1
  H  H133  1  0.914049  0.208230  0.519519  1
  H  H134  1  0.979286  0.551749  0.501798  1
  H  H135  1  0.312704  0.218345  0.501890  1
  H  H136  1  1.149970  0.702790  0.504716  1
  H  H137  1  0.482979  0.369674  0.504616  1
  H  H138  1  0.470123  0.734999  0.500252  1
  H  H139  1  0.757159  0.691612  0.521179  1
  H  H140  1  1.090127  0.358392  0.521157  1
  H  H141  1  0.423684  0.024678  0.521328  1
  H  H142  1  0.817003  0.036245  0.504757  1
  H  H143  1  0.803353  0.401712  0.500099  1
  H  H144  1  1.137296  0.068164  0.500209  1
  H  H145  1  1.133113  0.820335  0.558984  1
  H  H146  1  0.465974  0.487798  0.558518  1
  H  H147  1  0.533704  0.830719  0.540818  1
  H  H148  1  0.926703  0.842379  0.524363  1
  H  H149  1  1.144984  0.456118  0.562987  1
  H  H150  1  0.479756  0.122155  0.563162  1
  H  H151  1  0.800557  0.154072  0.558552  1
  H  H152  1  0.865507  0.497329  0.540731  1
  H  H153  1  0.199478  0.163832  0.540906  1
  H  H154  1  1.035444  0.648792  0.543898  1
  H  H155  1  0.368896  0.315597  0.543806  1
  H  H156  1  0.355628  0.680761  0.539440  1
  H  H157  1  0.644221  0.637576  0.559954  1
  H  H158  1  0.977138  0.304227  0.559998  1
  H  H159  1  0.311254  -0.029589  0.560247  1
  H  H160  1  0.702955  -0.018063  0.543922  1
  H  H161  1  0.689129  0.347311  0.539211  1
  H  H162  1  1.023498  0.013724  0.539351  1
  H  H163  1  1.018144  0.766693  0.598079  1
  H  H164  1  0.351981  0.433235  0.597328  1
  H  H165  1  0.421744  0.776387  0.579799  1
  H  H166  1  0.811940  0.788415  0.563580  1
  H  H167  1  1.030833  0.402490  0.601900  1
  H  H168  1  0.365752  0.068465  0.602063  1
  H  H169  1  0.687440  0.100875  0.597662  1
  H  H170  1  0.752118  0.442662  0.579660  1
  H  H171  1  1.086053  0.109119  0.579900  1
  H  H172  1  0.919859  0.594801  0.583075  1
  H  H173  1  0.254214  0.261236  0.582940  1
  H  H174  1  0.241122  0.626428  0.578682  1
  H  H175  1  0.533253  0.583677  0.598576  1
  H  H176  1  0.866310  0.250161  0.598821  1
  H  H177  1  0.198522  0.916518  0.599036  1
  H  H178  1  0.589103  0.928049  0.583243  1
  H  H179  1  0.575614  0.292627  0.578439  1
  H  H180  1  0.909085  0.959668  0.578555  1
  H  H181  1  0.907631  0.712933  0.637329  1
  H  H182  1  0.236101  0.381089  0.636286  1
  H  H183  1  0.306127  0.721627  0.618356  1
  H  H184  1  0.698664  0.734279  0.603086  1
  H  H185  1  0.918680  0.350486  0.640848  1
  H  H186  1  0.253849  0.014892  0.640825  1
  H  H187  1  0.573047  0.047836  0.636318  1
  H  H188  1  0.640473  0.387235  0.618560  1
  H  H189  1  0.973286  0.054954  0.619016  1
  H  H190  1  0.806003  0.540637  0.622569  1
  H  H191  1  1.140665  0.207184  0.622265  1
  H  H192  1  1.123656  0.572062  0.617827  1
  H  H193  1  0.417834  0.526854  0.636061  1
  H  H194  1  0.753559  0.197326  0.637314  1
  H  H195  1  1.089203  0.862942  0.637705  1
  H  H196  1  0.473980  0.873024  0.622427  1
  H  H197  1  0.459191  0.238576  0.617666  1
  H  H198  1  0.795392  0.905393  0.617765  1
  H  H199  1  0.787152  0.664820  0.676901  1
  H  H200  1  1.136659  0.331909  0.676351  1
  H  H201  1  0.205598  0.665624  0.657913  1
  H  H202  1  0.577972  0.679098  0.642162  1
  H  H203  1  0.807465  0.310808  0.680501  1
  H  H204  1  1.140472  -0.024096  0.680683  1
  H  H205  1  0.469015  -0.002429  0.676347  1
  H  H206  1  0.522025  0.331383  0.657346  1
  H  H207  1  0.857179  -0.000770  0.657752  1
  H  H208  1  0.681280  0.492281  0.662229  1
  H  H209  1  1.023484  0.157131  0.661945  1
  H  H210  1  1.012071  0.519428  0.657960  1
  H  H211  1  0.327161  0.484365  0.676867  1
  H  H212  1  0.653426  0.148475  0.677227  1
  H  H213  1  0.985074  0.812159  0.677091  1
  H  H214  1  0.361563  0.821726  0.662885  1
  H  H215  1  0.345688  0.182663  0.657409  1
  H  H216  1  0.680658  0.850985  0.656919  1
