# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.97017041
_cell_length_b   24.19352046
_cell_length_c   50.07260978
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.97034451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H720
_cell_volume   14492.4823131
_cell_formula_units_Z   360
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  0.409228  0.941358  0.285104  1
  H  H2  1  0.382202  0.616904  0.254376  1
  H  H3  1  0.565254  0.613010  0.269130  1
  H  H4  1  0.742561  0.608025  0.285104  1
  H  H5  1  0.398587  0.279677  0.269130  1
  H  H6  1  0.575895  0.274691  0.285104  1
  H  H7  1  0.548869  0.950238  0.254376  1
  H  H8  1  0.731920  0.946343  0.269130  1
  H  H9  1  0.909228  0.941358  0.285104  1
  H  H10  1  0.882202  0.616904  0.254376  1
  H  H11  1  0.065254  0.613010  0.269130  1
  H  H12  1  0.242561  0.608025  0.285104  1
  H  H13  1  0.715536  0.283571  0.254376  1
  H  H14  1  0.898587  0.279677  0.269130  1
  H  H15  1  0.075895  0.274691  0.285104  1
  H  H16  1  0.048869  0.950238  0.254376  1
  H  H17  1  0.231920  0.946343  0.269130  1
  H  H18  1  0.215536  0.283571  0.254376  1
  H  H19  1  0.330327  0.107428  0.292991  1
  H  H20  1  0.303395  0.781663  0.261708  1
  H  H21  1  0.489083  0.775684  0.275844  1
  H  H22  1  0.663660  0.774095  0.292991  1
  H  H23  1  0.322416  0.442351  0.275844  1
  H  H24  1  0.496994  0.440761  0.292991  1
  H  H25  1  0.470062  0.114996  0.261708  1
  H  H26  1  0.655750  0.109017  0.275844  1
  H  H27  1  0.830327  0.107428  0.292991  1
  H  H28  1  0.803395  0.781663  0.261708  1
  H  H29  1  0.989083  0.775684  0.275844  1
  H  H30  1  0.163660  0.774095  0.292991  1
  H  H31  1  0.636729  0.448329  0.261708  1
  H  H32  1  0.822416  0.442351  0.275844  1
  H  H33  1  0.996994  0.440761  0.292991  1
  H  H34  1  0.970062  0.114996  0.261708  1
  H  H35  1  0.155750  0.109017  0.275844  1
  H  H36  1  0.136729  0.448329  0.261708  1
  H  H37  1  0.273555  0.194323  0.272116  1
  H  H38  1  0.287834  0.859762  0.288027  1
  H  H39  1  0.463627  0.853495  0.303172  1
  H  H40  1  0.606888  0.860989  0.272116  1
  H  H41  1  0.296960  0.520162  0.303172  1
  H  H42  1  0.440222  0.527656  0.272116  1
  H  H43  1  0.454500  0.193095  0.288027  1
  H  H44  1  0.630293  0.186828  0.303172  1
  H  H45  1  0.773555  0.194323  0.272116  1
  H  H46  1  0.787834  0.859762  0.288027  1
  H  H47  1  0.963627  0.853495  0.303172  1
  H  H48  1  0.106888  0.860989  0.272116  1
  H  H49  1  0.621167  0.526429  0.288027  1
  H  H50  1  0.796960  0.520162  0.303172  1
  H  H51  1  0.940222  0.527656  0.272116  1
  H  H52  1  0.954500  0.193095  0.288027  1
  H  H53  1  0.130293  0.186828  0.303172  1
  H  H54  1  0.121167  0.526429  0.288027  1
  H  H55  1  0.350829  0.029518  0.265178  1
  H  H56  1  0.365978  0.694539  0.280752  1
  H  H57  1  0.541134  0.689311  0.296381  1
  H  H58  1  0.684163  0.696185  0.265178  1
  H  H59  1  0.374467  0.355977  0.296381  1
  H  H60  1  0.517496  0.362851  0.265178  1
  H  H61  1  0.532645  0.027873  0.280752  1
  H  H62  1  0.707800  0.022644  0.296381  1
  H  H63  1  0.850829  0.029518  0.265178  1
  H  H64  1  0.865978  0.694539  0.280752  1
  H  H65  1  0.041134  0.689311  0.296381  1
  H  H66  1  0.184163  0.696185  0.265178  1
  H  H67  1  0.699311  0.361206  0.280752  1
  H  H68  1  0.874467  0.355977  0.296381  1
  H  H69  1  0.017496  0.362851  0.265178  1
  H  H70  1  0.032645  0.027873  0.280752  1
  H  H71  1  0.207800  0.022644  0.296381  1
  H  H72  1  0.199311  0.361206  0.280752  1
  H  H73  1  0.438355  0.929312  0.330576  1
  H  H74  1  0.420164  0.605236  0.300548  1
  H  H75  1  0.596063  0.601565  0.315608  1
  H  H76  1  0.771688  0.595979  0.330576  1
  H  H77  1  0.429396  0.268232  0.315608  1
  H  H78  1  0.605022  0.262646  0.330576  1
  H  H79  1  0.586831  0.938569  0.300548  1
  H  H80  1  0.762730  0.934899  0.315608  1
  H  H81  1  0.938355  0.929312  0.330576  1
  H  H82  1  0.920164  0.605236  0.300548  1
  H  H83  1  0.096063  0.601565  0.315608  1
  H  H84  1  0.271688  0.595979  0.330576  1
  H  H85  1  0.753498  0.271903  0.300548  1
  H  H86  1  0.929396  0.268232  0.315608  1
  H  H87  1  0.105022  0.262646  0.330576  1
  H  H88  1  0.086831  0.938569  0.300548  1
  H  H89  1  0.262730  0.934899  0.315608  1
  H  H90  1  0.253498  0.271903  0.300548  1
  H  H91  1  0.359098  0.094292  0.338215  1
  H  H92  1  0.340990  0.770103  0.307798  1
  H  H93  1  0.516225  0.765390  0.322807  1
  H  H94  1  0.692432  0.760959  0.338215  1
  H  H95  1  0.349559  0.432057  0.322807  1
  H  H96  1  0.525765  0.427625  0.338215  1
  H  H97  1  0.507657  0.103436  0.307798  1
  H  H98  1  0.682892  0.098724  0.322807  1
  H  H99  1  0.859098  0.094292  0.338215  1
  H  H100  1  0.840990  0.770103  0.307798  1
  H  H101  1  0.016225  0.765390  0.322807  1
  H  H102  1  0.192432  0.760959  0.338215  1
  H  H103  1  0.674324  0.436770  0.307798  1
  H  H104  1  0.849559  0.432057  0.322807  1
  H  H105  1  0.025765  0.427625  0.338215  1
  H  H106  1  0.007657  0.103436  0.307798  1
  H  H107  1  0.182892  0.098724  0.322807  1
  H  H108  1  0.174324  0.436770  0.307798  1
  H  H109  1  0.306447  0.183978  0.318857  1
  H  H110  1  0.315263  0.845615  0.334087  1
  H  H111  1  0.491327  0.841041  0.349306  1
  H  H112  1  0.639781  0.850644  0.318857  1
  H  H113  1  0.324660  0.507708  0.349306  1
  H  H114  1  0.473114  0.517311  0.318857  1
  H  H115  1  0.481930  0.178948  0.334087  1
  H  H116  1  0.657993  0.174375  0.349306  1
  H  H117  1  0.806447  0.183978  0.318857  1
  H  H118  1  0.815263  0.845615  0.334087  1
  H  H119  1  0.991327  0.841041  0.349306  1
  H  H120  1  0.139781  0.850644  0.318857  1
  H  H121  1  0.648597  0.512281  0.334087  1
  H  H122  1  0.824660  0.507708  0.349306  1
  H  H123  1  0.973114  0.517311  0.318857  1
  H  H124  1  0.981930  0.178948  0.334087  1
  H  H125  1  0.157993  0.174375  0.349306  1
  H  H126  1  0.148597  0.512281  0.334087  1
  H  H127  1  0.385137  1.018761  0.311408  1
  H  H128  1  0.393628  0.681112  0.326783  1
  H  H129  1  0.569877  0.676864  0.341961  1
  H  H130  1  0.718470  0.685427  0.311408  1
  H  H131  1  0.403211  0.343531  0.341961  1
  H  H132  1  0.551804  0.352094  0.311408  1
  H  H133  1  0.560294  1.014445  0.326783  1
  H  H134  1  0.736544  1.010198  0.341961  1
  H  H135  1  0.885137  1.018761  0.311408  1
  H  H136  1  0.893628  0.681112  0.326783  1
  H  H137  1  0.069877  0.676864  0.341961  1
  H  H138  1  0.218470  0.685427  0.311408  1
  H  H139  1  0.726961  0.347779  0.326783  1
  H  H140  1  0.903211  0.343531  0.341961  1
  H  H141  1  0.051804  0.352094  0.311408  1
  H  H142  1  0.060294  1.014445  0.326783  1
  H  H143  1  0.236544  1.010198  0.341961  1
  H  H144  1  0.226961  0.347779  0.326783  1
  H  H145  1  0.466036  0.916565  0.376324  1
  H  H146  1  0.447552  0.592307  0.345953  1
  H  H147  1  0.623351  0.587605  0.361047  1
  H  H148  1  0.799369  0.583231  0.376324  1
  H  H149  1  0.456684  0.254272  0.361047  1
  H  H150  1  0.632703  0.249898  0.376324  1
  H  H151  1  0.614218  0.925641  0.345953  1
  H  H152  1  0.790018  0.920938  0.361047  1
  H  H153  1  0.966036  0.916565  0.376324  1
  H  H154  1  0.947552  0.592307  0.345953  1
  H  H155  1  0.123351  0.587605  0.361047  1
  H  H156  1  0.299369  0.583231  0.376324  1
  H  H157  1  0.780885  0.258974  0.345953  1
  H  H158  1  0.956684  0.254272  0.361047  1
  H  H159  1  0.132703  0.249898  0.376324  1
  H  H160  1  0.114218  0.925641  0.345953  1
  H  H161  1  0.290018  0.920938  0.361047  1
  H  H162  1  0.280885  0.258974  0.345953  1
  H  H163  1  0.387315  0.081039  0.383940  1
  H  H164  1  0.368347  0.756607  0.353362  1
  H  H165  1  0.544507  0.752361  0.368652  1
  H  H166  1  0.720648  0.747706  0.383940  1
  H  H167  1  0.377840  0.419028  0.368652  1
  H  H168  1  0.553982  0.414373  0.383940  1
  H  H169  1  0.535014  0.089941  0.353362  1
  H  H170  1  0.711173  0.085694  0.368652  1
  H  H171  1  0.887315  0.081039  0.383940  1
  H  H172  1  0.868347  0.756607  0.353362  1
  H  H173  1  0.044507  0.752361  0.368652  1
  H  H174  1  0.220648  0.747706  0.383940  1
  H  H175  1  0.701681  0.423274  0.353362  1
  H  H176  1  0.877840  0.419028  0.368652  1
  H  H177  1  0.053982  0.414373  0.383940  1
  H  H178  1  0.035014  0.089941  0.353362  1
  H  H179  1  0.211173  0.085694  0.368652  1
  H  H180  1  0.201681  0.423274  0.353362  1
  H  H181  1  0.333929  0.170018  0.364683  1
  H  H182  1  0.343396  0.832278  0.380015  1
  H  H183  1  0.519454  0.827942  0.395328  1
  H  H184  1  0.667262  0.836685  0.364683  1
  H  H185  1  0.352788  0.494609  0.395328  1
  H  H186  1  0.500595  0.503352  0.364683  1
  H  H187  1  0.510063  0.165611  0.380015  1
  H  H188  1  0.686121  0.161275  0.395328  1
  H  H189  1  0.833929  0.170018  0.364683  1
  H  H190  1  0.843396  0.832278  0.380015  1
  H  H191  1  0.019454  0.827942  0.395328  1
  H  H192  1  0.167262  0.836685  0.364683  1
  H  H193  1  0.676729  0.498944  0.380015  1
  H  H194  1  0.852788  0.494609  0.395328  1
  H  H195  1  1.000595  0.503352  0.364683  1
  H  H196  1  0.010063  0.165611  0.380015  1
  H  H197  1  0.186121  0.161275  0.395328  1
  H  H198  1  0.176729  0.498944  0.380015  1
  H  H199  1  0.412498  1.005227  0.357156  1
  H  H200  1  0.422026  0.667900  0.372527  1
  H  H201  1  0.598134  0.663342  0.387763  1
  H  H202  1  0.745831  0.671894  0.357156  1
  H  H203  1  0.431467  0.330009  0.387763  1
  H  H204  1  0.579164  0.338560  0.357156  1
  H  H205  1  0.588693  1.001233  0.372527  1
  H  H206  1  0.764801  0.996676  0.387763  1
  H  H207  1  0.912498  1.005227  0.357156  1
  H  H208  1  0.922026  0.667900  0.372527  1
  H  H209  1  0.098134  0.663342  0.387763  1
  H  H210  1  0.245831  0.671894  0.357156  1
  H  H211  1  0.755360  0.334567  0.372527  1
  H  H212  1  0.931467  0.330009  0.387763  1
  H  H213  1  0.079164  0.338560  0.357156  1
  H  H214  1  0.088693  1.001233  0.372527  1
  H  H215  1  0.264801  0.996676  0.387763  1
  H  H216  1  0.255360  0.334567  0.372527  1
  H  H217  1  0.494046  0.903440  0.422145  1
  H  H218  1  0.475368  0.578865  0.391599  1
  H  H219  1  0.651376  0.574503  0.406862  1
  H  H220  1  0.827380  0.570107  0.422145  1
  H  H221  1  0.484709  0.241170  0.406862  1
  H  H222  1  0.660713  0.236773  0.422145  1
  H  H223  1  0.642035  0.912198  0.391599  1
  H  H224  1  0.818043  0.907836  0.406862  1
  H  H225  1  0.994046  0.903440  0.422145  1
  H  H226  1  0.975368  0.578865  0.391599  1
  H  H227  1  0.151376  0.574503  0.406862  1
  H  H228  1  0.327380  0.570107  0.422145  1
  H  H229  1  0.808701  0.245532  0.391599  1
  H  H230  1  0.984709  0.241170  0.406862  1
  H  H231  1  0.160713  0.236773  0.422145  1
  H  H232  1  0.142035  0.912198  0.391599  1
  H  H233  1  0.318043  0.907836  0.406862  1
  H  H234  1  0.308701  0.245532  0.391599  1
  H  H235  1  0.415471  0.067917  0.429780  1
  H  H236  1  0.396730  0.743488  0.399219  1
  H  H237  1  0.572754  0.738993  0.414489  1
  H  H238  1  0.748804  0.734583  0.429780  1
  H  H239  1  0.406087  0.405660  0.414489  1
  H  H240  1  0.582137  0.401250  0.429780  1
  H  H241  1  0.563397  0.076821  0.399219  1
  H  H242  1  0.739421  0.072326  0.414489  1
  H  H243  1  0.915471  0.067917  0.429780  1
  H  H244  1  0.896730  0.743488  0.399219  1
  H  H245  1  0.072754  0.738993  0.414489  1
  H  H246  1  0.248804  0.734583  0.429780  1
  H  H247  1  0.730063  0.410154  0.399219  1
  H  H248  1  0.906087  0.405660  0.414489  1
  H  H249  1  0.082137  0.401250  0.429780  1
  H  H250  1  0.063397  0.076821  0.399219  1
  H  H251  1  0.239421  0.072326  0.414489  1
  H  H252  1  0.230063  0.410154  0.399219  1
  H  H253  1  0.362125  0.156746  0.410607  1
  H  H254  1  0.371476  0.819058  0.425924  1
  H  H255  1  0.547503  0.814604  0.441205  1
  H  H256  1  0.695458  0.823413  0.410607  1
  H  H257  1  0.380837  0.481271  0.441205  1
  H  H258  1  0.528791  0.490080  0.410607  1
  H  H259  1  0.538143  0.152392  0.425924  1
  H  H260  1  0.714170  0.147937  0.441205  1
  H  H261  1  0.862125  0.156746  0.410607  1
  H  H262  1  0.871476  0.819058  0.425924  1
  H  H263  1  0.047503  0.814604  0.441205  1
  H  H264  1  0.195458  0.823413  0.410607  1
  H  H265  1  0.704809  0.485725  0.425924  1
  H  H266  1  0.880837  0.481271  0.441205  1
  H  H267  1  0.028791  0.490080  0.410607  1
  H  H268  1  0.038143  0.152392  0.425924  1
  H  H269  1  0.214170  0.147937  0.441205  1
  H  H270  1  0.204809  0.485725  0.425924  1
  H  H271  1  0.440862  0.992286  0.403052  1
  H  H272  1  0.450190  0.654525  0.418326  1
  H  H273  1  0.626193  0.650132  0.433608  1
  H  H274  1  0.774195  0.658952  0.403052  1
  H  H275  1  0.459526  0.316799  0.433608  1
  H  H276  1  0.607528  0.325619  0.403052  1
  H  H277  1  0.616857  0.987858  0.418326  1
  H  H278  1  0.792859  0.983465  0.433608  1
  H  H279  1  0.940862  0.992286  0.403052  1
  H  H280  1  0.950190  0.654525  0.418326  1
  H  H281  1  0.126193  0.650132  0.433608  1
  H  H282  1  0.274195  0.658952  0.403052  1
  H  H283  1  0.783523  0.321192  0.418326  1
  H  H284  1  0.959526  0.316799  0.433608  1
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  H  H576  1  0.395932  0.268107  0.601683  1
  H  H577  1  0.633991  0.836490  0.651479  1
  H  H578  1  0.615779  0.512760  0.621030  1
  H  H579  1  0.791842  0.508186  0.636249  1
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  H  H595  1  0.555302  1.001707  0.658928  1
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  H  H619  1  0.677709  0.085569  0.654728  1
  H  H620  1  0.853608  0.081898  0.669788  1
  H  H621  1  1.002084  0.091156  0.639760  1
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  H  H624  1  0.335417  0.757822  0.639760  1
  H  H625  1  0.844376  0.418903  0.654728  1
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  H  H627  1  0.168750  0.424489  0.639760  1
  H  H628  1  0.177709  0.085569  0.654728  1
  H  H629  1  0.353608  0.081898  0.669788  1
  H  H630  1  0.344376  0.418903  0.654728  1
  H  H631  1  0.581340  0.926176  0.632121  1
  H  H632  1  0.590880  0.588411  0.647529  1
  H  H633  1  0.766115  0.583698  0.662538  1
  H  H634  1  0.914674  0.592843  0.632121  1
  H  H635  1  0.599448  0.250365  0.662538  1
  H  H636  1  0.748007  0.259509  0.632121  1
  H  H637  1  0.757547  0.921744  0.647529  1
  H  H638  1  0.932782  0.917032  0.662538  1
  H  H639  1  0.081340  0.926176  0.632121  1
  H  H640  1  0.090880  0.588411  0.647529  1
  H  H641  1  0.266115  0.583698  0.662538  1
  H  H642  1  0.414674  0.592843  0.632121  1
  H  H643  1  0.924213  0.255077  0.647529  1
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  H  H649  1  0.666884  0.826145  0.698220  1
  H  H650  1  0.643479  0.500306  0.667164  1
  H  H651  1  0.819272  0.494039  0.682309  1
  H  H652  1  1.000217  0.492812  0.698220  1
  H  H653  1  0.652605  0.160706  0.682309  1
  H  H654  1  0.833550  0.159479  0.698220  1
  H  H655  1  0.810145  0.833640  0.667164  1
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  H  H658  1  0.143479  0.500306  0.667164  1
  H  H659  1  0.319272  0.494039  0.682309  1
  H  H660  1  0.500217  0.492812  0.698220  1
  H  H661  1  0.976812  0.166973  0.667164  1
  H  H662  1  0.152605  0.160706  0.682309  1
  H  H663  1  0.333550  0.159479  0.698220  1
  H  H664  1  0.310145  0.833640  0.667164  1
  H  H665  1  0.485938  0.827373  0.682309  1
  H  H666  1  0.476812  0.166973  0.667164  1
  H  H667  1  0.589609  0.990950  0.705158  1
  H  H668  1  0.565972  0.664491  0.673955  1
  H  H669  1  0.741127  0.659262  0.689584  1
  H  H670  1  0.922943  0.657617  0.705158  1
  H  H671  1  0.574461  0.325929  0.689584  1
  H  H672  1  0.756276  0.324283  0.705158  1
  H  H673  1  0.732638  0.997824  0.673955  1
  H  H674  1  0.907794  0.992595  0.689584  1
  H  H675  1  0.089609  0.990950  0.705158  1
  H  H676  1  0.065972  0.664491  0.673955  1
  H  H677  1  0.241127  0.659262  0.689584  1
  H  H678  1  0.422943  0.657617  0.705158  1
  H  H679  1  0.899305  0.331157  0.673955  1
  H  H680  1  0.074461  0.325929  0.689584  1
  H  H681  1  0.256276  0.324283  0.705158  1
  H  H682  1  0.232638  0.997824  0.673955  1
  H  H683  1  0.407794  0.992595  0.689584  1
  H  H684  1  0.399305  0.331157  0.673955  1
  H  H685  1  0.531211  0.079110  0.685232  1
  H  H686  1  0.541852  0.740791  0.701206  1
  H  H687  1  0.724903  0.736897  0.715960  1
  H  H688  1  0.864544  0.745777  0.685232  1
  H  H689  1  0.558236  0.403564  0.715960  1
  H  H690  1  0.697877  0.412443  0.685232  1
  H  H691  1  0.708518  0.074125  0.701206  1
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  H  H718  1  0.284689  0.911451  0.694492  1
  H  H719  1  0.470377  0.905472  0.708627  1
  H  H720  1  0.451356  0.244784  0.694492  1
