# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.00629635
_cell_length_b   23.09714654
_cell_length_c   47.18948691
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.05819558
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H648
_cell_volume   13084.4047213
_cell_formula_units_Z   324
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  0.747645  0.572832  0.281698  1
  H  H2  1  0.989288  0.239590  0.282424  1
  H  H3  1  1.071240  0.571179  0.300630  1
  H  H4  1  0.413521  0.906431  0.281669  1
  H  H5  1  0.308095  0.237346  0.300001  1
  H  H6  1  0.395474  0.564628  0.315709  1
  H  H7  1  0.737319  0.904470  0.300595  1
  H  H8  1  0.631890  0.232322  0.316740  1
  H  H9  1  1.061624  0.898352  0.315717  1
  H  H10  1  0.684591  0.650866  0.312147  1
  H  H11  1  1.014332  0.316747  0.313210  1
  H  H12  1  1.040707  0.658690  0.278023  1
  H  H13  1  0.350387  -0.016106  0.312180  1
  H  H14  1  0.370894  0.325691  0.278889  1
  H  H15  1  0.360904  0.652102  0.295174  1
  H  H16  1  0.705251  -0.008213  0.277917  1
  H  H17  1  0.686550  0.318712  0.294319  1
  H  H18  1  1.026197  -0.014075  0.295143  1
  H  H19  1  0.649506  0.738314  0.290953  1
  H  H20  1  0.987234  0.404293  0.290315  1
  H  H21  1  0.972021  0.734289  0.308472  1
  H  H22  1  0.312813  0.070503  0.291680  1
  H  H23  1  0.307200  0.400934  0.308695  1
  H  H24  1  0.332202  0.742251  0.274877  1
  H  H25  1  0.636536  0.067509  0.308390  1
  H  H26  1  0.674913  0.411731  0.273859  1
  H  H27  1  0.991896  0.075172  0.274687  1
  H  H28  1  0.715083  0.828340  0.270846  1
  H  H29  1  1.049527  0.495084  0.270886  1
  H  H30  1  1.029225  0.820197  0.285806  1
  H  H31  1  0.281847  0.159603  0.271034  1
  H  H32  1  0.363286  0.486068  0.285768  1
  H  H33  1  0.355522  0.819651  0.304947  1
  H  H34  1  0.601696  0.155509  0.287341  1
  H  H35  1  0.689504  0.486691  0.305204  1
  H  H36  1  0.924103  0.152009  0.304509  1
  H  H37  1  0.571240  0.571179  0.300630  1
  H  H38  1  0.808095  0.237346  0.300001  1
  H  H39  1  0.895474  0.564628  0.315709  1
  H  H40  1  0.237319  0.904470  0.300595  1
  H  H41  1  1.131890  0.232322  0.316740  1
  H  H42  1  0.247645  0.572832  0.281698  1
  H  H43  1  0.561624  0.898352  0.315717  1
  H  H44  1  0.489288  0.239590  0.282424  1
  H  H45  1  0.913521  0.906431  0.281669  1
  H  H46  1  0.540707  0.658690  0.278023  1
  H  H47  1  0.870894  0.325691  0.278889  1
  H  H48  1  0.860904  0.652102  0.295174  1
  H  H49  1  0.205251  -0.008213  0.277917  1
  H  H50  1  0.186550  0.318712  0.294319  1
  H  H51  1  0.184591  0.650866  0.312147  1
  H  H52  1  0.526197  -0.014075  0.295143  1
  H  H53  1  0.514332  0.316747  0.313210  1
  H  H54  1  0.850387  -0.016106  0.312180  1
  H  H55  1  0.472021  0.734289  0.308472  1
  H  H56  1  0.807200  0.400934  0.308695  1
  H  H57  1  0.832202  0.742251  0.274877  1
  H  H58  1  1.136536  0.067509  0.308390  1
  H  H59  1  1.174913  0.411731  0.273859  1
  H  H60  1  1.149506  0.738314  0.290953  1
  H  H61  1  0.491896  0.075172  0.274687  1
  H  H62  1  0.487234  0.404293  0.290315  1
  H  H63  1  0.812813  0.070503  0.291680  1
  H  H64  1  0.529225  0.820197  0.285806  1
  H  H65  1  0.863286  0.486068  0.285768  1
  H  H66  1  0.855522  0.819651  0.304947  1
  H  H67  1  1.101696  0.155509  0.287341  1
  H  H68  1  0.189504  0.486691  0.305204  1
  H  H69  1  0.215083  0.828340  0.270846  1
  H  H70  1  0.424103  0.152009  0.304509  1
  H  H71  1  0.549527  0.495084  0.270886  1
  H  H72  1  0.781847  0.159603  0.271034  1
  H  H73  1  0.721229  0.563767  0.332990  1
  H  H74  1  0.954789  0.229238  0.333019  1
  H  H75  1  1.044849  0.559137  0.349277  1
  H  H76  1  0.387332  0.896748  0.332915  1
  H  H77  1  0.278563  0.225578  0.349587  1
  H  H78  1  0.368791  0.556079  0.365477  1
  H  H79  1  0.710978  0.892625  0.349302  1
  H  H80  1  0.601845  0.222134  0.365886  1
  H  H81  1  1.034996  0.889268  0.365458  1
  H  H82  1  0.654332  0.640317  0.361507  1
  H  H83  1  0.987306  0.306179  0.362108  1
  H  H84  1  1.007173  0.647000  0.328884  1
  H  H85  1  0.320617  -0.026418  0.361474  1
  H  H86  1  0.338293  0.313254  0.329295  1
  H  H87  1  0.331259  0.643553  0.345007  1
  H  H88  1  0.673184  -0.019291  0.328757  1
  H  H89  1  0.663669  0.309837  0.345306  1
  H  H90  1  0.997345  -0.023166  0.344999  1
  H  H91  1  0.617138  0.727767  0.340962  1
  H  H92  1  0.951139  0.394579  0.341007  1
  H  H93  1  0.940070  0.724399  0.357515  1
  H  H94  1  0.283467  0.060601  0.341260  1
  H  H95  1  0.273524  0.391229  0.357588  1
  H  H96  1  0.293958  0.731285  0.324599  1
  H  H97  1  0.606811  0.057262  0.357651  1
  H  H98  1  0.628428  0.397943  0.324268  1
  H  H99  1  0.960070  0.064002  0.324858  1
  H  H100  1  0.677753  0.815223  0.320551  1
  H  H101  1  1.011252  0.481508  0.320469  1
  H  H102  1  1.002267  0.811903  0.336931  1
  H  H103  1  0.246727  0.148312  0.320952  1
  H  H104  1  0.335923  0.478738  0.337082  1
  H  H105  1  0.325603  0.808594  0.353522  1
  H  H106  1  0.569434  0.144845  0.337134  1
  H  H107  1  0.659145  0.475227  0.353543  1
  H  H108  1  0.892699  0.141403  0.353599  1
  H  H109  1  0.544849  0.559137  0.349277  1
  H  H110  1  0.778563  0.225578  0.349587  1
  H  H111  1  0.868791  0.556079  0.365477  1
  H  H112  1  0.210978  0.892625  0.349302  1
  H  H113  1  1.101845  0.222134  0.365886  1
  H  H114  1  0.221229  0.563767  0.332990  1
  H  H115  1  0.534996  0.889268  0.365458  1
  H  H116  1  0.454789  0.229238  0.333019  1
  H  H117  1  0.887332  0.896748  0.332915  1
  H  H118  1  0.507173  0.647000  0.328884  1
  H  H119  1  0.838293  0.313254  0.329295  1
  H  H120  1  0.831259  0.643553  0.345007  1
  H  H121  1  1.173184  -0.019291  0.328757  1
  H  H122  1  1.163669  0.309837  0.345306  1
  H  H123  1  1.154332  0.640317  0.361507  1
  H  H124  1  0.497345  -0.023166  0.344999  1
  H  H125  1  0.487306  0.306179  0.362108  1
  H  H126  1  0.820617  -0.026418  0.361474  1
  H  H127  1  0.440070  0.724399  0.357515  1
  H  H128  1  0.773524  0.391229  0.357588  1
  H  H129  1  0.793958  0.731285  0.324599  1
  H  H130  1  1.106811  0.057262  0.357651  1
  H  H131  1  1.128428  0.397943  0.324268  1
  H  H132  1  1.117138  0.727767  0.340962  1
  H  H133  1  0.460070  0.064002  0.324858  1
  H  H134  1  0.451139  0.394579  0.341007  1
  H  H135  1  0.783467  0.060601  0.341260  1
  H  H136  1  0.502267  0.811903  0.336931  1
  H  H137  1  0.835923  0.478738  0.337082  1
  H  H138  1  0.825603  0.808594  0.353522  1
  H  H139  1  1.069434  0.144845  0.337134  1
  H  H140  1  1.159145  0.475227  0.353543  1
  H  H141  1  1.177753  0.815223  0.320551  1
  H  H142  1  0.392699  0.141403  0.353599  1
  H  H143  1  0.511252  0.481508  0.320469  1
  H  H144  1  0.746727  0.148312  0.320952  1
  H  H145  1  0.692233  0.552655  0.382085  1
  H  H146  1  0.925306  0.218612  0.382374  1
  H  H147  1  1.015574  0.549175  0.398565  1
  H  H148  1  0.358602  0.885906  0.382087  1
  H  H149  1  0.248667  0.215209  0.398852  1
  H  H150  1  0.339033  0.545771  0.414976  1
  H  H151  1  0.681993  0.882377  0.398559  1
  H  H152  1  0.572079  0.211788  0.415284  1
  H  H153  1  1.005522  0.878969  0.414978  1
  H  H154  1  0.624645  0.629903  0.410913  1
  H  H155  1  0.958104  0.295933  0.411241  1
  H  H156  1  0.977855  0.636745  0.378011  1
  H  H157  1  0.291110  -0.036836  0.410894  1
  H  H158  1  0.311045  0.302849  0.378343  1
  H  H159  1  0.301237  0.633313  0.394400  1
  H  H160  1  0.644159  -0.029931  0.377977  1
  H  H161  1  0.634711  0.299415  0.394707  1
  H  H162  1  0.967649  -0.033413  0.394387  1
  H  H163  1  0.586775  0.717487  0.390373  1
  H  H164  1  0.920136  0.384263  0.390380  1
  H  H165  1  0.910160  0.714043  0.406862  1
  H  H166  1  0.253601  0.050280  0.390568  1
  H  H167  1  0.243481  0.380812  0.406854  1
  H  H168  1  0.263411  0.720860  0.373891  1
  H  H169  1  0.576978  0.046828  0.407034  1
  H  H170  1  0.596789  0.387630  0.373833  1
  H  H171  1  0.930244  0.053689  0.374074  1
  H  H172  1  0.649197  0.804998  0.369781  1
  H  H173  1  0.982748  0.471809  0.369838  1
  H  H174  1  0.972768  0.801699  0.386236  1
  H  H175  1  0.215858  0.137955  0.370047  1
  H  H176  1  0.306307  0.468511  0.386285  1
  H  H177  1  0.296143  0.798178  0.402732  1
  H  H178  1  0.539231  0.134505  0.386487  1
  H  H179  1  0.629631  0.464936  0.402726  1
  H  H180  1  0.862600  0.131030  0.402956  1
  H  H181  1  0.515574  0.549175  0.398565  1
  H  H182  1  0.748667  0.215209  0.398852  1
  H  H183  1  0.839033  0.545771  0.414976  1
  H  H184  1  0.181993  0.882377  0.398559  1
  H  H185  1  1.072079  0.211788  0.415284  1
  H  H186  1  0.192233  0.552655  0.382085  1
  H  H187  1  0.505522  0.878969  0.414978  1
  H  H188  1  0.425306  0.218612  0.382374  1
  H  H189  1  0.858602  0.885906  0.382087  1
  H  H190  1  0.477855  0.636745  0.378011  1
  H  H191  1  0.811045  0.302849  0.378343  1
  H  H192  1  0.801237  0.633313  0.394400  1
  H  H193  1  1.144159  -0.029931  0.377977  1
  H  H194  1  1.134711  0.299415  0.394707  1
  H  H195  1  1.124645  0.629903  0.410913  1
  H  H196  1  0.467649  -0.033413  0.394387  1
  H  H197  1  0.458104  0.295933  0.411241  1
  H  H198  1  0.791110  -0.036836  0.410894  1
  H  H199  1  0.410160  0.714043  0.406862  1
  H  H200  1  0.743481  0.380812  0.406854  1
  H  H201  1  0.763411  0.720860  0.373891  1
  H  H202  1  1.076978  0.046828  0.407034  1
  H  H203  1  1.096789  0.387630  0.373833  1
  H  H204  1  1.086775  0.717487  0.390373  1
  H  H205  1  0.430244  0.053689  0.374074  1
  H  H206  1  0.420136  0.384263  0.390380  1
  H  H207  1  0.753601  0.050280  0.390568  1
  H  H208  1  0.472768  0.801699  0.386236  1
  H  H209  1  0.806307  0.468511  0.386285  1
  H  H210  1  0.796143  0.798178  0.402732  1
  H  H211  1  1.039231  0.134505  0.386487  1
  H  H212  1  1.129631  0.464936  0.402726  1
  H  H213  1  1.149197  0.804998  0.369781  1
  H  H214  1  0.362600  0.131030  0.402956  1
  H  H215  1  0.482748  0.471809  0.369838  1
  H  H216  1  0.715858  0.137955  0.370047  1
  H  H217  1  0.662452  0.542297  0.431463  1
  H  H218  1  0.895478  0.208317  0.431758  1
  H  H219  1  0.985853  0.538854  0.447927  1
  H  H220  1  0.328999  0.875505  0.431477  1
  H  H221  1  0.218884  0.204884  0.448222  1
  H  H222  1  0.309272  0.535414  0.464379  1
  H  H223  1  0.652434  0.872055  0.447948  1
  H  H224  1  0.542298  0.201446  0.464674  1
  H  H225  1  0.975881  0.868615  0.464408  1
  H  H226  1  0.594838  0.619572  0.460324  1
  H  H227  1  0.928379  0.285624  0.460563  1
  H  H228  1  0.948015  0.626470  0.427393  1
  H  H229  1  0.261427  -0.047176  0.460314  1
  H  H230  1  0.281530  0.292516  0.427651  1
  H  H231  1  0.271431  0.623017  0.443846  1
  H  H232  1  0.614543  -0.040278  0.427375  1
  H  H233  1  0.604978  0.289075  0.444093  1
  H  H234  1  0.937994  -0.043730  0.443833  1
  H  H235  1  0.556981  0.707162  0.439800  1
  H  H236  1  0.890305  0.373914  0.439756  1
  H  H237  1  0.880387  0.703725  0.456275  1
  H  H238  1  0.223818  0.039932  0.439977  1
  H  H239  1  0.213703  0.370472  0.456212  1
  H  H240  1  0.233568  0.710588  0.423321  1
  H  H241  1  0.547230  0.036490  0.456448  1
  H  H242  1  0.566891  0.377342  0.423272  1
  H  H243  1  0.900410  0.043367  0.423497  1
  H  H244  1  0.619558  0.794756  0.419178  1
  H  H245  1  0.953020  0.461542  0.419175  1
  H  H246  1  0.943008  0.791331  0.435640  1
  H  H247  1  0.185981  0.127600  0.419430  1
  H  H248  1  0.276428  0.458115  0.435623  1
  H  H249  1  0.266417  0.787876  0.452118  1
  H  H250  1  0.509388  0.124157  0.435890  1
  H  H251  1  0.599806  0.454652  0.452080  1
  H  H252  1  0.832798  0.120703  0.452358  1
  H  H253  1  0.485853  0.538854  0.447927  1
  H  H254  1  0.718884  0.204884  0.448222  1
  H  H255  1  0.809272  0.535414  0.464379  1
  H  H256  1  1.152434  0.872055  0.447948  1
  H  H257  1  1.042298  0.201446  0.464674  1
  H  H258  1  1.162452  0.542297  0.431463  1
  H  H259  1  0.475881  0.868615  0.464408  1
  H  H260  1  0.395478  0.208317  0.431758  1
  H  H261  1  0.828999  0.875505  0.431477  1
  H  H262  1  0.448015  0.626470  0.427393  1
  H  H263  1  0.781530  0.292516  0.427651  1
  H  H264  1  0.771431  0.623017  0.443846  1
  H  H265  1  1.114543  -0.040278  0.427375  1
  H  H266  1  1.104978  0.289075  0.444093  1
  H  H267  1  1.094838  0.619572  0.460324  1
  H  H268  1  0.437994  -0.043730  0.443833  1
  H  H269  1  0.428379  0.285624  0.460563  1
  H  H270  1  0.761427  -0.047176  0.460314  1
  H  H271  1  0.380387  0.703725  0.456275  1
  H  H272  1  0.713703  0.370472  0.456212  1
  H  H273  1  0.733568  0.710588  0.423321  1
  H  H274  1  1.047230  0.036490  0.456448  1
  H  H275  1  1.066891  0.377342  0.423272  1
  H  H276  1  1.056981  0.707162  0.439800  1
  H  H277  1  0.400410  0.043367  0.423497  1
  H  H278  1  0.390305  0.373914  0.439756  1
  H  H279  1  0.723818  0.039932  0.439977  1
  H  H280  1  0.443008  0.791331  0.435640  1
  H  H281  1  0.776428  0.458115  0.435623  1
  H  H282  1  0.766417  0.787876  0.452118  1
  H  H283  1  1.009388  0.124157  0.435890  1
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  H  H575  1  0.333876  0.420198  0.616689  1
  H  H576  1  0.567129  0.086267  0.617143  1
  H  H577  1  0.511550  0.490308  0.678015  1
  H  H578  1  0.746411  0.155684  0.677433  1
  H  H579  1  0.833520  0.486480  0.695208  1
  H  H580  1  1.178178  0.823744  0.678180  1
  H  H581  1  1.072577  0.156220  0.696830  1
  H  H582  1  1.153136  0.482592  0.711574  1
  H  H583  1  0.500625  0.820319  0.695384  1
  H  H584  1  0.386357  0.147291  0.711752  1
  H  H585  1  0.820432  0.816138  0.711666  1
  H  H586  1  0.442673  0.566016  0.708116  1
  H  H587  1  0.760964  0.230673  0.708754  1
  H  H588  1  0.799660  0.574863  0.674274  1
  H  H589  1  1.110412  0.900645  0.707987  1
  H  H590  1  1.128651  0.241396  0.673908  1
  H  H591  1  1.122422  0.572080  0.691016  1
  H  H592  1  0.465743  0.908228  0.674273  1
  H  H593  1  0.448641  0.238017  0.692276  1
  H  H594  1  0.789489  0.905212  0.690993  1
  H  H595  1  0.416192  0.657751  0.688328  1
  H  H596  1  0.749184  0.323635  0.688263  1
  H  H597  1  0.732995  0.650506  0.704095  1
  H  H598  1  1.076022  -0.010166  0.687487  1
  H  H599  1  1.064842  0.316643  0.703697  1
  H  H600  1  1.088220  0.659213  0.669682  1
  H  H601  1  0.397027  -0.016044  0.704735  1
  H  H602  1  0.421411  0.325552  0.669373  1
  H  H603  1  0.751828  -0.008218  0.670492  1
  H  H604  1  0.470724  0.743640  0.665953  1
  H  H605  1  0.803800  0.409922  0.665785  1
  H  H606  1  0.794240  0.738553  0.682632  1
  H  H607  1  1.040547  0.077474  0.666969  1
  H  H608  1  1.127620  0.404961  0.682552  1
  H  H609  1  1.113213  0.736278  0.700369  1
  H  H610  1  0.364692  0.071199  0.682004  1
  H  H611  1  0.446429  0.402721  0.700143  1
  H  H612  1  0.688315  0.069511  0.700963  1
  H  H613  1  0.333520  0.486480  0.695208  1
  H  H614  1  0.572577  0.156220  0.696830  1
  H  H615  1  0.653136  0.482592  0.711574  1
  H  H616  1  1.000625  0.820319  0.695384  1
  H  H617  1  0.886357  0.147291  0.711752  1
  H  H618  1  1.011550  0.490308  0.678015  1
  H  H619  1  0.320432  0.816138  0.711666  1
  H  H620  1  0.246411  0.155684  0.677433  1
  H  H621  1  0.678178  0.823744  0.678180  1
  H  H622  1  0.299660  0.574863  0.674274  1
  H  H623  1  0.628651  0.241396  0.673908  1
  H  H624  1  0.622422  0.572080  0.691016  1
  H  H625  1  0.965743  0.908228  0.674273  1
  H  H626  1  0.948641  0.238017  0.692276  1
  H  H627  1  0.942673  0.566016  0.708116  1
  H  H628  1  0.289489  0.905212  0.690993  1
  H  H629  1  0.260964  0.230673  0.708754  1
  H  H630  1  0.610412  0.900645  0.707987  1
  H  H631  1  0.232995  0.650506  0.704095  1
  H  H632  1  0.564842  0.316643  0.703697  1
  H  H633  1  0.588220  0.659213  0.669682  1
  H  H634  1  0.897027  -0.016044  0.704735  1
  H  H635  1  0.921411  0.325552  0.669373  1
  H  H636  1  0.916192  0.657751  0.688328  1
  H  H637  1  0.251828  -0.008218  0.670492  1
  H  H638  1  0.249184  0.323635  0.688263  1
  H  H639  1  0.576022  -0.010166  0.687487  1
  H  H640  1  0.294240  0.738553  0.682632  1
  H  H641  1  0.627620  0.404961  0.682552  1
  H  H642  1  0.613213  0.736278  0.700369  1
  H  H643  1  0.864692  0.071199  0.682004  1
  H  H644  1  0.946429  0.402721  0.700143  1
  H  H645  1  0.970724  0.743640  0.665953  1
  H  H646  1  0.188315  0.069511  0.700963  1
  H  H647  1  0.303800  0.409922  0.665785  1
  H  H648  1  0.540547  0.077474  0.666969  1
