# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.74559535
_cell_length_b   20.48938986
_cell_length_c   47.23071987
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H576
_cell_volume   11190.3126862
_cell_formula_units_Z   288
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  0.935206  0.739246  0.285538  1
  H  H2  1  0.606980  0.571618  0.285294  1
  H  H3  1  0.552274  0.724288  0.306033  1
  H  H4  1  0.935680  0.237863  0.285810  1
  H  H5  1  0.886189  0.390475  0.306036  1
  H  H6  1  0.831053  0.543924  0.324094  1
  H  H7  1  0.266951  0.407293  0.285652  1
  H  H8  1  0.218361  0.553419  0.302781  1
  H  H9  1  0.164100  0.711240  0.324458  1
  H  H10  1  0.602138  0.071559  0.285694  1
  H  H11  1  0.552211  0.224236  0.306043  1
  H  H12  1  0.498250  0.376960  0.324449  1
  H  H13  1  0.885903  0.890989  0.306058  1
  H  H14  1  0.830428  0.043986  0.324363  1
  H  H15  1  0.268865  0.904723  0.285714  1
  H  H16  1  0.219126  0.057438  0.306051  1
  H  H17  1  0.163934  0.210586  0.324390  1
  H  H18  1  0.497003  0.877278  0.324328  1
  H  H19  1  0.076959  0.646854  0.294681  1
  H  H20  1  0.744797  0.478024  0.294244  1
  H  H21  1  0.692008  0.634199  0.314728  1
  H  H22  1  0.076261  0.144674  0.294166  1
  H  H23  1  0.023770  0.300853  0.315484  1
  H  H24  1  0.973595  0.454709  0.334148  1
  H  H25  1  0.409093  0.312016  0.294095  1
  H  H26  1  0.359489  0.467428  0.315686  1
  H  H27  1  0.461014  0.665525  0.276288  1
  H  H28  1  0.742860  0.978321  0.294101  1
  H  H29  1  0.690082  0.134350  0.315447  1
  H  H30  1  0.795134  0.331538  0.276330  1
  H  H31  1  0.023466  0.801014  0.315435  1
  H  H32  1  0.128255  0.999034  0.276252  1
  H  H33  1  0.409452  0.811393  0.294088  1
  H  H34  1  0.356819  0.967695  0.315418  1
  H  H35  1  0.461316  0.165891  0.276225  1
  H  H36  1  0.794325  0.833825  0.276075  1
  H  H37  1  0.883895  0.637534  0.303147  1
  H  H38  1  0.554198  0.474127  0.305855  1
  H  H39  1  0.497885  0.627211  0.324226  1
  H  H40  1  0.885768  0.140691  0.306092  1
  H  H41  1  0.830680  0.293827  0.324422  1
  H  H42  1  0.937620  0.490126  0.285531  1
  H  H43  1  0.219255  0.307431  0.305899  1
  H  H44  1  0.164562  0.460269  0.324371  1
  H  H45  1  0.269072  0.655130  0.285587  1
  H  H46  1  0.552391  0.974177  0.306002  1
  H  H47  1  0.497088  0.127332  0.324338  1
  H  H48  1  0.602581  0.321125  0.285755  1
  H  H49  1  0.830718  0.794619  0.324443  1
  H  H50  1  0.935594  0.988183  0.285697  1
  H  H51  1  0.219185  0.807579  0.306107  1
  H  H52  1  0.163833  0.960615  0.324361  1
  H  H53  1  0.268953  0.154754  0.285745  1
  H  H54  1  0.601695  0.821949  0.285643  1
  H  H55  1  0.128419  0.750093  0.276115  1
  H  H56  1  0.640396  0.538196  0.334006  1
  H  H57  1  0.743035  0.730265  0.294607  1
  H  H58  1  0.127900  0.248473  0.276323  1
  H  H59  1  0.076010  0.395174  0.294433  1
  H  H60  1  0.027347  0.550534  0.315096  1
  H  H61  1  0.462668  0.415154  0.276383  1
  H  H62  1  0.411884  0.561520  0.294037  1
  H  H63  1  0.356814  0.717528  0.315439  1
  H  H64  1  0.794818  0.082441  0.276248  1
  H  H65  1  0.742957  0.227936  0.294179  1
  H  H66  1  0.690721  0.384171  0.315405  1
  H  H67  1  0.076214  0.894905  0.294111  1
  H  H68  1  0.023543  0.050966  0.315449  1
  H  H69  1  0.461130  0.915875  0.276214  1
  H  H70  1  0.409549  0.061544  0.294092  1
  H  H71  1  0.356914  0.217770  0.315410  1
  H  H72  1  0.690046  0.884427  0.315420  1
  H  H73  1  0.781699  0.698106  0.342730  1
  H  H74  1  0.448382  0.531938  0.343246  1
  H  H75  1  0.397246  0.685531  0.361850  1
  H  H76  1  0.780863  0.198468  0.343273  1
  H  H77  1  0.730946  0.352687  0.362187  1
  H  H78  1  0.681988  0.507095  0.380733  1
  H  H79  1  0.114397  0.364992  0.343349  1
  H  H80  1  0.064433  0.519326  0.362219  1
  H  H81  1  0.015714  0.673490  0.380226  1
  H  H82  1  0.447454  0.031877  0.343216  1
  H  H83  1  0.397513  0.186063  0.362155  1
  H  H84  1  0.348730  0.340411  0.380692  1
  H  H85  1  0.730811  0.852789  0.362170  1
  H  H86  1  0.682140  0.007101  0.380658  1
  H  H87  1  0.114081  0.865197  0.343226  1
  H  H88  1  0.064219  0.019382  0.362173  1
  H  H89  1  0.015499  0.173741  0.380719  1
  H  H90  1  0.348875  0.840364  0.380639  1
  H  H91  1  0.922804  0.608626  0.352228  1
  H  H92  1  0.588755  0.442078  0.352938  1
  H  H93  1  0.539656  0.596441  0.371325  1
  H  H94  1  0.922020  0.108735  0.353018  1
  H  H95  1  0.873080  0.263084  0.371385  1
  H  H96  1  0.824554  0.417865  0.390054  1
  H  H97  1  0.255421  0.275421  0.352969  1
  H  H98  1  0.206403  0.429836  0.371340  1
  H  H99  1  0.305936  0.620175  0.332937  1
  H  H100  1  0.588630  0.942051  0.352953  1
  H  H101  1  0.539679  0.096469  0.371328  1
  H  H102  1  0.640599  0.288019  0.333980  1
  H  H103  1  0.873134  0.762854  0.371097  1
  H  H104  1  0.973641  0.954918  0.333964  1
  H  H105  1  0.255405  0.775465  0.352995  1
  H  H106  1  0.206386  0.929750  0.371327  1
  H  H107  1  0.307021  0.121501  0.333941  1
  H  H108  1  0.640151  0.788355  0.334025  1
  H  H109  1  0.731094  0.602697  0.362005  1
  H  H110  1  0.397799  0.435935  0.362290  1
  H  H111  1  0.348539  0.590349  0.380364  1
  H  H112  1  0.730837  0.102721  0.362169  1
  H  H113  1  0.682184  0.257090  0.380714  1
  H  H114  1  0.781001  0.448436  0.343320  1
  H  H115  1  0.064244  0.269312  0.362214  1
  H  H116  1  0.015358  0.423727  0.380769  1
  H  H117  1  0.115761  0.614886  0.342756  1
  H  H118  1  0.397534  0.936030  0.362141  1
  H  H119  1  0.348838  0.090440  0.380675  1
  H  H120  1  0.447601  0.281842  0.343250  1
  H  H121  1  0.682514  0.756829  0.380504  1
  H  H122  1  0.780758  0.948580  0.343221  1
  H  H123  1  0.063689  0.769115  0.361965  1
  H  H124  1  0.015504  0.923745  0.380656  1
  H  H125  1  0.114177  0.115172  0.343257  1
  H  H126  1  0.447447  0.781738  0.343206  1
  H  H127  1  0.972215  0.703939  0.333217  1
  H  H128  1  0.491117  0.501170  0.390012  1
  H  H129  1  0.589258  0.691839  0.352793  1
  H  H130  1  0.973738  0.204747  0.333989  1
  H  H131  1  0.922162  0.358662  0.353028  1
  H  H132  1  0.872887  0.513291  0.371327  1
  H  H133  1  0.307503  0.371361  0.333890  1
  H  H134  1  0.255491  0.525509  0.352345  1
  H  H135  1  0.206615  0.679511  0.371015  1
  H  H136  1  0.640219  0.038222  0.333943  1
  H  H137  1  0.588667  0.192083  0.352999  1
  H  H138  1  0.539784  0.346390  0.371401  1
  H  H139  1  0.922077  0.858797  0.352977  1
  H  H140  1  0.873030  0.013133  0.371341  1
  H  H141  1  0.307044  0.871494  0.333946  1
  H  H142  1  0.255352  0.025422  0.352995  1
  H  H143  1  0.206394  0.179774  0.371362  1
  H  H144  1  0.539666  0.846373  0.371318  1
  H  H145  1  0.634021  0.661620  0.399254  1
  H  H146  1  0.300435  0.495205  0.399141  1
  H  H147  1  0.253091  0.649692  0.417477  1
  H  H148  1  0.634093  0.161750  0.399314  1
  H  H149  1  0.586536  0.316475  0.417711  1
  H  H150  1  0.538759  0.471241  0.436206  1
  H  H151  1  0.967394  0.328383  0.399359  1
  H  H152  1  0.919679  0.483188  0.417695  1
  H  H153  1  0.872067  0.637877  0.436106  1
  H  H154  1  0.300807  0.995044  0.399294  1
  H  H155  1  0.253251  0.149797  0.417685  1
  H  H156  1  0.205532  0.304596  0.436226  1
  H  H157  1  0.586713  0.816295  0.417551  1
  H  H158  1  0.538920  0.971188  0.436150  1
  H  H159  1  0.967470  0.828266  0.399189  1
  H  H160  1  0.919944  0.983095  0.417643  1
  H  H161  1  0.872220  0.137902  0.436208  1
  H  H162  1  0.205582  0.804431  0.436066  1
  H  H163  1  0.776678  0.572402  0.408485  1
  H  H164  1  0.443606  0.405762  0.408486  1
  H  H165  1  0.395764  0.560560  0.426838  1
  H  H166  1  0.777077  0.072421  0.408421  1
  H  H167  1  0.729352  0.227233  0.426978  1
  H  H168  1  0.681759  0.381898  0.445462  1
  H  H169  1  0.110390  0.239080  0.408474  1
  H  H170  1  0.062619  0.393876  0.427005  1
  H  H171  1  0.157880  0.584410  0.389764  1
  H  H172  1  0.443786  0.905693  0.408383  1
  H  H173  1  0.396056  0.060534  0.426934  1
  H  H174  1  0.491222  0.251197  0.390026  1
  H  H175  1  0.729482  0.727063  0.426810  1
  H  H176  1  0.824624  0.917841  0.389971  1
  H  H177  1  0.110480  0.738884  0.408189  1
  H  H178  1  0.062739  0.893791  0.426878  1
  H  H179  1  0.157943  0.084518  0.390024  1
  H  H180  1  0.491326  0.750922  0.389846  1
  H  H181  1  0.586274  0.566430  0.417700  1
  H  H182  1  0.253143  0.399872  0.417672  1
  H  H183  1  0.205353  0.554587  0.436112  1
  H  H184  1  0.586585  0.066460  0.417651  1
  H  H185  1  0.538858  0.221253  0.436206  1
  H  H186  1  0.634032  0.411735  0.399325  1
  H  H187  1  0.919895  0.233133  0.417711  1
  H  H188  1  0.872173  0.387917  0.436233  1
  H  H189  1  0.967072  0.578491  0.399141  1
  H  H190  1  0.253268  0.899708  0.417612  1
  H  H191  1  0.205575  0.054543  0.436188  1
  H  H192  1  0.300737  0.245076  0.399318  1
  H  H193  1  0.538826  0.721155  0.436109  1
  H  H194  1  0.634126  0.911697  0.399270  1
  H  H195  1  0.920056  0.732926  0.417440  1
  H  H196  1  0.872283  0.887800  0.436108  1
  H  H197  1  0.967451  0.078394  0.399322  1
  H  H198  1  0.300845  0.744879  0.399143  1
  H  H199  1  0.824852  0.667600  0.389712  1
  H  H200  1  0.348313  0.465306  0.445385  1
  H  H201  1  0.443473  0.655666  0.408314  1
  H  H202  1  0.824584  0.167857  0.390035  1
  H  H203  1  0.777047  0.322435  0.408463  1
  H  H204  1  0.729233  0.477185  0.426995  1
  H  H205  1  0.157897  0.334519  0.390060  1
  H  H206  1  0.110103  0.489086  0.408506  1
  H  H207  1  0.062572  0.643813  0.426752  1
  H  H208  1  0.491274  1.001179  0.389981  1
  H  H209  1  0.443731  0.155766  0.408424  1
  H  H210  1  0.395970  0.310571  0.426967  1
  H  H211  1  0.777226  0.822265  0.408302  1
  H  H212  1  0.729406  0.977176  0.426909  1
  H  H213  1  0.157837  0.834398  0.389918  1
  H  H214  1  0.110439  0.989053  0.408411  1
  H  H215  1  0.062710  0.143877  0.426976  1
  H  H216  1  0.396115  0.810415  0.426840  1
  H  H217  1  0.491175  0.625921  0.454594  1
  H  H218  1  0.157911  0.459304  0.454674  1
  H  H219  1  0.110233  0.614011  0.473070  1
  H  H220  1  0.491326  0.125935  0.454629  1
  H  H221  1  0.443605  0.280716  0.473162  1
  H  H222  1  0.395956  0.435444  0.491632  1
  H  H223  1  0.824639  0.292624  0.454683  1
  H  H224  1  0.776945  0.447353  0.473186  1
  H  H225  1  0.729329  0.602049  0.491633  1
  H  H226  1  0.158035  0.959198  0.454596  1
  H  H227  1  0.110319  0.114004  0.473152  1
  H  H228  1  0.062683  0.268742  0.491669  1
  H  H229  1  0.443646  0.780596  0.473067  1
  H  H230  1  0.396066  0.935303  0.491559  1
  H  H231  1  0.824756  0.792469  0.454518  1
  H  H232  1  0.777033  0.947263  0.473075  1
  H  H233  1  0.729367  0.102042  0.491597  1
  H  H234  1  0.062718  0.768631  0.491533  1
  H  H235  1  0.634061  0.536646  0.463915  1
  H  H236  1  0.300748  0.370037  0.463910  1
  H  H237  1  0.253099  0.524732  0.482362  1
  H  H238  1  0.634159  0.036610  0.463858  1
  H  H239  1  0.586484  0.191384  0.482380  1
  H  H240  1  0.538813  0.346143  0.500905  1
  H  H241  1  0.967465  0.203324  0.463931  1
  H  H242  1  0.919827  0.358052  0.482429  1
  H  H243  1  0.014947  0.548621  0.445394  1
  H  H244  1  0.300846  0.869872  0.463814  1
  H  H245  1  0.253191  0.024653  0.482352  1
  H  H246  1  0.348472  0.215237  0.445437  1
  H  H247  1  0.586459  0.691330  0.482344  1
  H  H248  1  0.681904  0.881775  0.445340  1
  H  H249  1  0.967460  0.703237  0.463779  1
  H  H250  1  0.919910  0.857917  0.482287  1
  H  H251  1  0.015183  0.048523  0.445418  1
  H  H252  1  0.348400  0.715141  0.445321  1
  H  H253  1  0.443543  0.530705  0.473114  1
  H  H254  1  0.110289  0.364038  0.473188  1
  H  H255  1  0.062640  0.518755  0.491631  1
  H  H256  1  0.443660  0.030639  0.473107  1
  H  H257  1  0.396003  0.185405  0.491621  1
  H  H258  1  0.491254  0.375971  0.454678  1
  H  H259  1  0.776966  0.197365  0.473164  1
  H  H260  1  0.729334  0.352083  0.491670  1
  H  H261  1  0.824560  0.542609  0.454671  1
  H  H262  1  0.110360  0.863901  0.473054  1
  H  H263  1  0.062728  0.018671  0.491590  1
  H  H264  1  0.157995  0.209280  0.454671  1
  H  H265  1  0.395980  0.685347  0.491572  1
  H  H266  1  0.491401  0.875828  0.454560  1
  H  H267  1  0.776969  0.697302  0.473085  1
  H  H268  1  0.729431  0.851950  0.491539  1
  H  H269  1  0.824689  0.042571  0.454615  1
  H  H270  1  0.157943  0.709176  0.454501  1
  H  H271  1  0.681661  0.631880  0.445430  1
  H  H272  1  0.205483  0.429474  0.500898  1
  H  H273  1  0.300696  0.619961  0.463811  1
  H  H274  1  0.681821  0.131890  0.445423  1
  H  H275  1  0.634099  0.286674  0.463930  1
  H  H276  1  0.586459  0.441388  0.482412  1
  H  H277  1  0.015136  0.298562  0.445473  1
  H  H278  1  0.967419  0.453347  0.463923  1
  H  H279  1  0.919789  0.608036  0.482357  1
  H  H280  1  0.348522  0.965157  0.445386  1
  H  H281  1  0.300806  0.119972  0.463895  1
  H  H282  1  0.253151  0.274730  0.482404  1
  H  H283  1  0.634197  0.786541  0.463804  1
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  H  H574  1  0.382571  0.807687  0.686433  1
  H  H575  1  0.332305  0.960397  0.706818  1
  H  H576  1  0.666131  0.627294  0.706773  1
