# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36342848
_cell_length_b   27.23828364
_cell_length_c   22.95743270
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H503
_cell_volume   4604.50692744
_cell_formula_units_Z   251
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  0.979486  0.330520  0.321884  1
  H  H2  1  0.979486  0.298474  0.656153  1
  H  H3  1  0.979486  0.438500  -0.011921  1
  H  H4  1  0.979486  0.473352  0.321361  1
  H  H5  1  0.979486  0.441368  0.654718  1
  H  H6  1  0.979486  0.582612  -0.011563  1
  H  H7  1  0.979486  0.616245  0.321651  1
  H  H8  1  0.979486  0.584246  0.654999  1
  H  H9  1  0.979486  0.725904  -0.011285  1
  H  H10  1  0.979486  0.759147  0.322064  1
  H  H11  1  0.979486  0.727106  0.655404  1
  H  H12  1  0.979486  0.869432  -0.010901  1
  H  H13  1  0.979486  0.902004  0.322481  1
  H  H14  1  0.979486  0.869976  0.655830  1
  H  H15  1  0.979486  1.012719  -0.010574  1
  H  H16  1  0.979486  1.044847  0.322944  1
  H  H17  1  0.979486  1.012826  0.656281  1
  H  H18  1  0.979486  1.156849  -0.010209  1
  H  H19  1  0.979486  1.187702  0.323351  1
  H  H20  1  0.979486  1.155703  0.656719  1
  H  H21  1  0.319035  0.297657  -0.010704  1
  H  H22  1  0.313064  0.330489  0.321737  1
  H  H23  1  0.313090  0.298447  0.656338  1
  H  H24  1  0.308538  0.438417  -0.011866  1
  H  H25  1  0.312928  0.473363  0.321343  1
  H  H26  1  0.312896  0.441410  0.654669  1
  H  H27  1  0.313277  0.582276  -0.011620  1
  H  H28  1  0.312789  0.616267  0.321675  1
  H  H29  1  0.312780  0.584246  0.655004  1
  H  H30  1  0.312848  0.725966  -0.011267  1
  H  H31  1  0.312808  0.759139  0.322059  1
  H  H32  1  0.312822  0.727102  0.655407  1
  H  H33  1  0.312841  0.869368  -0.010925  1
  H  H34  1  0.312816  0.902001  0.322482  1
  H  H35  1  0.312824  0.869968  0.655828  1
  H  H36  1  0.313316  1.013053  -0.010528  1
  H  H37  1  0.312849  1.044847  0.322938  1
  H  H38  1  0.312825  1.012846  0.656273  1
  H  H39  1  0.308473  1.156903  -0.010079  1
  H  H40  1  0.312839  1.187721  0.323357  1
  H  H41  1  0.312833  1.155700  0.656734  1
  H  H42  1  0.639936  0.297657  -0.010704  1
  H  H43  1  0.645908  0.330489  0.321737  1
  H  H44  1  0.645882  0.298447  0.656338  1
  H  H45  1  0.650433  0.438417  -0.011866  1
  H  H46  1  0.646044  0.473363  0.321343  1
  H  H47  1  0.646075  0.441410  0.654669  1
  H  H48  1  0.645694  0.582276  -0.011620  1
  H  H49  1  0.646182  0.616267  0.321675  1
  H  H50  1  0.646191  0.584246  0.655004  1
  H  H51  1  0.646123  0.725966  -0.011267  1
  H  H52  1  0.646164  0.759139  0.322059  1
  H  H53  1  0.646150  0.727102  0.655407  1
  H  H54  1  0.646131  0.869368  -0.010925  1
  H  H55  1  0.646155  0.902001  0.322482  1
  H  H56  1  0.646147  0.869968  0.655828  1
  H  H57  1  0.645655  1.013053  -0.010528  1
  H  H58  1  0.646122  1.044847  0.322938  1
  H  H59  1  0.646147  1.012846  0.656273  1
  H  H60  1  0.650499  1.156903  -0.010079  1
  H  H61  1  0.646132  1.187721  0.323357  1
  H  H62  1  0.646139  1.155700  0.656734  1
  H  H63  1  0.139250  0.312363  0.068419  1
  H  H64  1  0.146234  0.313887  0.405548  1
  H  H65  1  0.145815  0.281696  0.739983  1
  H  H66  1  0.146072  0.456851  0.071536  1
  H  H67  1  0.146168  0.456734  0.404693  1
  H  H68  1  0.146604  0.424739  0.737927  1
  H  H69  1  0.146586  0.599720  0.071660  1
  H  H70  1  0.146148  0.599558  0.404979  1
  H  H71  1  0.146095  0.567495  0.738314  1
  H  H72  1  0.146071  0.742930  0.072027  1
  H  H73  1  0.146149  0.742400  0.405374  1
  H  H74  1  0.146146  0.710334  0.738709  1
  H  H75  1  0.146232  0.886017  0.072409  1
  H  H76  1  0.146149  0.885241  0.405794  1
  H  H77  1  0.146126  0.853216  0.739127  1
  H  H78  1  0.145910  1.028862  0.072790  1
  H  H79  1  0.146159  1.028071  0.406245  1
  H  H80  1  0.146220  0.996124  0.739582  1
  H  H81  1  0.146716  1.171268  0.073451  1
  H  H82  1  0.146148  1.170898  0.406659  1
  H  H83  1  0.146248  1.138944  0.740006  1
  H  H84  1  0.479486  0.313925  0.072750  1
  H  H85  1  0.479486  0.313880  0.405560  1
  H  H86  1  0.479486  0.281565  0.740550  1
  H  H87  1  0.479486  0.455671  0.070920  1
  H  H88  1  0.479486  0.456732  0.404702  1
  H  H89  1  0.479486  0.424745  0.738032  1
  H  H90  1  0.479486  0.599799  0.071681  1
  H  H91  1  0.479486  0.599564  0.404987  1
  H  H92  1  0.479486  0.567541  0.738303  1
  H  H93  1  0.479486  0.742960  0.072041  1
  H  H94  1  0.479486  0.742402  0.405372  1
  H  H95  1  0.479486  0.710330  0.738713  1
  H  H96  1  0.479486  0.886029  0.072402  1
  H  H97  1  0.479486  0.885240  0.405793  1
  H  H98  1  0.479486  0.853199  0.739129  1
  H  H99  1  0.479486  1.028921  0.072819  1
  H  H100  1  0.479486  1.028067  0.406249  1
  H  H101  1  0.479486  0.996102  0.739544  1
  H  H102  1  0.479486  1.170974  0.073142  1
  H  H103  1  0.479486  1.170896  0.406662  1
  H  H104  1  0.479486  1.139124  0.740113  1
  H  H105  1  0.819721  0.312363  0.068419  1
  H  H106  1  0.812737  0.313887  0.405548  1
  H  H107  1  0.813157  0.281696  0.739983  1
  H  H108  1  0.812900  0.456851  0.071536  1
  H  H109  1  0.812803  0.456734  0.404693  1
  H  H110  1  0.812367  0.424739  0.737927  1
  H  H111  1  0.812385  0.599720  0.071660  1
  H  H112  1  0.812824  0.599558  0.404979  1
  H  H113  1  0.812876  0.567495  0.738314  1
  H  H114  1  0.812900  0.742930  0.072027  1
  H  H115  1  0.812822  0.742400  0.405374  1
  H  H116  1  0.812826  0.710334  0.738709  1
  H  H117  1  0.812739  0.886017  0.072409  1
  H  H118  1  0.812822  0.885241  0.405794  1
  H  H119  1  0.812846  0.853216  0.739127  1
  H  H120  1  0.813061  1.028862  0.072790  1
  H  H121  1  0.812812  1.028071  0.406245  1
  H  H122  1  0.812751  0.996124  0.739582  1
  H  H123  1  0.812255  1.171268  0.073451  1
  H  H124  1  0.812823  1.170898  0.406659  1
  H  H125  1  0.812723  1.138944  0.740006  1
  H  H126  1  0.979486  0.296673  0.155222  1
  H  H127  1  0.979486  0.297747  0.489176  1
  H  H128  1  0.979486  0.265395  0.824503  1
  H  H129  1  0.979486  0.439317  0.154869  1
  H  H130  1  0.979486  0.440709  0.488060  1
  H  H131  1  0.979486  0.408391  0.820819  1
  H  H132  1  0.979486  0.582317  0.154933  1
  H  H133  1  0.979486  0.583566  0.488289  1
  H  H134  1  0.979486  0.550741  0.821640  1
  H  H135  1  0.979486  0.725260  0.155296  1
  H  H136  1  0.979486  0.726404  0.488681  1
  H  H137  1  0.979486  0.693509  0.822022  1
  H  H138  1  0.979486  0.868308  0.155690  1
  H  H139  1  0.979486  0.869241  0.489102  1
  H  H140  1  0.979486  0.836339  0.822414  1
  H  H141  1  0.979486  1.011242  0.156142  1
  H  H142  1  0.979486  1.012066  0.489548  1
  H  H143  1  0.979486  0.979432  0.822909  1
  H  H144  1  0.979486  1.154145  0.156652  1
  H  H145  1  0.979486  1.154867  0.489985  1
  H  H146  1  0.979486  1.122207  0.823159  1
  H  H147  1  0.310748  0.296875  0.154679  1
  H  H148  1  0.312835  0.297744  0.489178  1
  H  H149  1  0.309353  0.265471  0.824497  1
  H  H150  1  0.312388  0.439202  0.154447  1
  H  H151  1  0.312799  0.440714  0.488050  1
  H  H152  1  0.313194  0.408050  0.821386  1
  H  H153  1  0.313035  0.582193  0.154934  1
  H  H154  1  0.312812  0.583563  0.488292  1
  H  H155  1  0.312832  0.550809  0.821633  1
  H  H156  1  0.312820  0.725298  0.155309  1
  H  H157  1  0.312823  0.726404  0.488681  1
  H  H158  1  0.312814  0.693498  0.822020  1
  H  H159  1  0.312832  0.868307  0.155699  1
  H  H160  1  0.312818  0.869241  0.489101  1
  H  H161  1  0.312763  0.836363  0.822423  1
  H  H162  1  0.312711  1.011253  0.156114  1
  H  H163  1  0.312815  1.012065  0.489551  1
  H  H164  1  0.312766  0.979267  0.822816  1
  H  H165  1  0.313292  1.153994  0.156670  1
  H  H166  1  0.312818  1.154864  0.489982  1
  H  H167  1  0.313926  1.122449  0.823401  1
  H  H168  1  0.648223  0.296875  0.154679  1
  H  H169  1  0.646136  0.297744  0.489178  1
  H  H170  1  0.649618  0.265471  0.824497  1
  H  H171  1  0.646584  0.439202  0.154447  1
  H  H172  1  0.646172  0.440714  0.488050  1
  H  H173  1  0.645778  0.408050  0.821386  1
  H  H174  1  0.645936  0.582193  0.154934  1
  H  H175  1  0.646159  0.583563  0.488292  1
  H  H176  1  0.646139  0.550809  0.821633  1
  H  H177  1  0.646151  0.725298  0.155309  1
  H  H178  1  0.646148  0.726404  0.488681  1
  H  H179  1  0.646157  0.693498  0.822020  1
  H  H180  1  0.646140  0.868307  0.155699  1
  H  H181  1  0.646153  0.869241  0.489101  1
  H  H182  1  0.646208  0.836363  0.822423  1
  H  H183  1  0.646261  1.011253  0.156114  1
  H  H184  1  0.646156  1.012065  0.489551  1
  H  H185  1  0.646205  0.979267  0.822816  1
  H  H186  1  0.645679  1.153994  0.156670  1
  H  H187  1  0.646153  1.154864  0.489982  1
  H  H188  1  0.645046  1.122449  0.823401  1
  H  H189  1  0.146085  0.313531  0.238554  1
  H  H190  1  0.146253  0.281039  0.572872  1
  H  H191  1  0.139062  0.283910  0.910319  1
  H  H192  1  0.146324  0.456351  0.238031  1
  H  H193  1  0.146158  0.423868  0.571415  1
  H  H194  1  0.146710  0.424788  0.904517  1
  H  H195  1  0.146227  0.599277  0.238278  1
  H  H196  1  0.146144  0.566770  0.571600  1
  H  H197  1  0.145920  0.567229  0.905075  1
  H  H198  1  0.146116  0.742246  0.238670  1
  H  H199  1  0.146152  0.709640  0.571990  1
  H  H200  1  0.146234  0.710055  0.905411  1
  H  H201  1  0.146146  0.885161  0.239080  1
  H  H202  1  0.146151  0.852497  0.572412  1
  H  H203  1  0.146039  0.853126  0.905790  1
  H  H204  1  0.146157  1.028035  0.239536  1
  H  H205  1  0.146151  0.995352  0.572858  1
  H  H206  1  0.146647  0.996336  0.906219  1
  H  H207  1  0.146269  1.170836  0.240105  1
  H  H208  1  0.146152  1.138207  0.573315  1
  H  H209  1  0.146196  1.139169  0.906379  1
  H  H210  1  0.479486  0.313545  0.237982  1
  H  H211  1  0.479486  0.281030  0.572877  1
  H  H212  1  0.479486  0.282129  0.905647  1
  H  H213  1  0.479486  0.456258  0.237862  1
  H  H214  1  0.479486  0.423874  0.571380  1
  H  H215  1  0.479486  0.425071  0.904995  1
  H  H216  1  0.479486  0.599322  0.238314  1
  H  H217  1  0.479486  0.566778  0.571598  1
  H  H218  1  0.479486  0.567156  0.905044  1
  H  H219  1  0.479486  0.742251  0.238674  1
  H  H220  1  0.479486  0.709638  0.571993  1
  H  H221  1  0.479486  0.710046  0.905414  1
  H  H222  1  0.479486  0.885161  0.239083  1
  H  H223  1  0.479486  0.852497  0.572410  1
  H  H224  1  0.479486  0.853096  0.905776  1
  H  H225  1  0.479486  1.028005  0.239518  1
  H  H226  1  0.479486  0.995352  0.572856  1
  H  H227  1  0.479486  0.996226  0.906139  1
  H  H228  1  0.479486  1.170930  0.240045  1
  H  H229  1  0.479486  1.138199  0.573312  1
  H  H230  1  0.479486  1.140453  0.907217  1
  H  H231  1  0.812887  0.313531  0.238554  1
  H  H232  1  0.812718  0.281039  0.572872  1
  H  H233  1  0.819910  0.283910  0.910319  1
  H  H234  1  0.812648  0.456351  0.238031  1
  H  H235  1  0.812813  0.423868  0.571415  1
  H  H236  1  0.812261  0.424788  0.904517  1
  H  H237  1  0.812744  0.599277  0.238278  1
  H  H238  1  0.812828  0.566770  0.571600  1
  H  H239  1  0.813051  0.567229  0.905075  1
  H  H240  1  0.812856  0.742246  0.238670  1
  H  H241  1  0.812819  0.709640  0.571990  1
  H  H242  1  0.812737  0.710055  0.905411  1
  H  H243  1  0.812826  0.885161  0.239080  1
  H  H244  1  0.812820  0.852497  0.572412  1
  H  H245  1  0.812932  0.853126  0.905790  1
  H  H246  1  0.812814  1.028035  0.239536  1
  H  H247  1  0.812820  0.995352  0.572858  1
  H  H248  1  0.812324  0.996336  0.906219  1
  H  H249  1  0.812702  1.170836  0.240105  1
  H  H250  1  0.812820  1.138207  0.573315  1
  H  H251  1  0.812776  1.139169  0.906379  1
  H  H252  1  0.137981  0.230966  -0.008870  1
  H  H253  1  0.146102  0.259149  0.323046  1
  H  H254  1  0.146238  0.227093  0.656777  1
  H  H255  1  0.138313  0.364440  -0.012893  1
  H  H256  1  0.146171  0.401899  0.321309  1
  H  H257  1  0.146193  0.369927  0.654961  1
  H  H258  1  0.145609  0.510754  -0.011708  1
  H  H259  1  0.146197  0.544801  0.321482  1
  H  H260  1  0.146125  0.512810  0.654835  1
  H  H261  1  0.146458  0.654196  -0.011442  1
  H  H262  1  0.146116  0.687703  0.321858  1
  H  H263  1  0.146144  0.655676  0.655197  1
  H  H264  1  0.146077  0.797668  -0.011098  1
  H  H265  1  0.146153  0.830576  0.322269  1
  H  H266  1  0.146151  0.798537  0.655615  1
  H  H267  1  0.146462  0.941138  -0.010724  1
  H  H268  1  0.146157  0.973428  0.322705  1
  H  H269  1  0.146172  0.941406  0.656050  1
  H  H270  1  0.145654  1.084572  -0.010412  1
  H  H271  1  0.146181  1.116263  0.323195  1
  H  H272  1  0.146119  1.084263  0.656506  1
  H  H273  1  0.479486  0.226220  -0.010034  1
  H  H274  1  0.479486  0.259170  0.323050  1
  H  H275  1  0.479486  0.227088  0.656838  1
  H  H276  1  0.479486  0.369060  -0.011887  1
  H  H277  1  0.479486  0.401920  0.321253  1
  H  H278  1  0.479486  0.369981  0.654945  1
  H  H279  1  0.479486  0.509944  -0.011808  1
  H  H280  1  0.479486  0.544833  0.321512  1
  H  H281  1  0.479486  0.512841  0.654801  1
  H  H282  1  0.479486  0.654194  -0.011441  1
  H  H283  1  0.479486  0.687704  0.321862  1
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  H  H339  1  0.309526  0.384305  0.070637  1
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  H  H344  1  0.312955  0.496151  0.738122  1
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  H  H346  1  0.312814  0.670982  0.405173  1
  H  H347  1  0.312768  0.638914  0.738509  1
  H  H348  1  0.312802  0.814492  0.072217  1
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  H  H352  1  0.312817  0.956656  0.406015  1
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  H  H354  1  0.312446  1.100066  0.073029  1
  H  H355  1  0.312832  1.099479  0.406487  1
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  H  H357  1  0.644902  0.242258  0.073484  1
  H  H358  1  0.646152  0.242352  0.406473  1
  H  H359  1  0.645994  0.210409  0.740401  1
  H  H360  1  0.649445  0.384305  0.070637  1
  H  H361  1  0.646119  0.385325  0.404812  1
  H  H362  1  0.646019  0.353264  0.738314  1
  H  H363  1  0.645376  0.528001  0.071447  1
  H  H364  1  0.646153  0.528144  0.404816  1
  H  H365  1  0.646016  0.496151  0.738122  1
  H  H366  1  0.646114  0.671393  0.071859  1
  H  H367  1  0.646157  0.670982  0.405173  1
  H  H368  1  0.646204  0.638914  0.738509  1
  H  H369  1  0.646169  0.814492  0.072217  1
  H  H370  1  0.646154  0.813822  0.405580  1
  H  H371  1  0.646158  0.781766  0.738918  1
  H  H372  1  0.646112  0.957520  0.072600  1
  H  H373  1  0.646154  0.956656  0.406015  1
  H  H374  1  0.646161  0.924648  0.739341  1
  H  H375  1  0.646525  1.100066  0.073029  1
  H  H376  1  0.646139  1.099479  0.406487  1
  H  H377  1  0.646032  1.067597  0.739794  1
  H  H378  1  0.147434  0.225214  0.157443  1
  H  H379  1  0.146162  0.226276  0.489909  1
  H  H380  1  0.146268  0.193604  0.823320  1
  H  H381  1  0.145907  0.367681  0.154210  1
  H  H382  1  0.146191  0.369251  0.488342  1
  H  H383  1  0.146663  0.336716  0.821624  1
  H  H384  1  0.146176  0.510815  0.154819  1
  H  H385  1  0.146131  0.512142  0.488125  1
  H  H386  1  0.146448  0.479481  0.821415  1
  H  H387  1  0.146273  0.653755  0.155106  1
  H  H388  1  0.146156  0.654985  0.488480  1
  H  H389  1  0.146087  0.622121  0.821830  1
  H  H390  1  0.146129  0.796799  0.155496  1
  H  H391  1  0.146154  0.797823  0.488889  1
  H  H392  1  0.146171  0.764909  0.822215  1
  H  H393  1  0.146161  0.939786  0.155902  1
  H  H394  1  0.146149  0.940656  0.489322  1
  H  H395  1  0.145996  0.907837  0.822636  1
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  H  H399  1  0.479486  0.225610  0.156941  1
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  H  H465  1  0.312594  0.384848  0.237826  1
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  H  H472  1  0.312815  0.638208  0.571791  1
  H  H473  1  0.312858  0.638559  0.905227  1
  H  H474  1  0.312807  0.813709  0.238872  1
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  H  H478  1  0.312818  0.923924  0.572628  1
  H  H479  1  0.312818  0.924649  0.905961  1
  H  H480  1  0.312910  1.099438  0.239775  1
  H  H481  1  0.312818  1.066779  0.573094  1
  H  H482  1  0.313839  1.068052  0.906466  1
  H  H483  1  0.645927  0.242416  0.240031  1
  H  H484  1  0.646111  0.209622  0.573370  1
  H  H485  1  0.650307  0.211767  0.907606  1
  H  H486  1  0.646377  0.384848  0.237826  1
  H  H487  1  0.646133  0.352404  0.571865  1
  H  H488  1  0.644669  0.353622  0.904624  1
  H  H489  1  0.645939  0.527803  0.238113  1
  H  H490  1  0.646165  0.495334  0.571432  1
  H  H491  1  0.646510  0.496014  0.904927  1
  H  H492  1  0.646178  0.670785  0.238485  1
  H  H493  1  0.646157  0.638208  0.571791  1
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  H  H499  1  0.646154  0.923924  0.572628  1
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  H  H501  1  0.646061  1.099438  0.239775  1
  H  H502  1  0.646154  1.066779  0.573094  1
  H  H503  1  0.645132  1.068052  0.906466  1
