# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.56553937
_cell_length_b   15.19428397
_cell_length_c   46.67570330
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.44259189
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H432
_cell_volume   11595.2911475
_cell_formula_units_Z   216
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  0.676161  0.002999  0.345372  1
  H  H2  1  0.307703  0.058590  0.321562  1
  H  H3  1  0.342827  0.669665  0.345372  1
  H  H4  1  0.939245  0.114182  0.297752  1
  H  H5  1  0.974370  0.725257  0.321562  1
  H  H6  1  0.009494  0.336332  0.345372  1
  H  H7  1  0.605912  0.780849  0.297752  1
  H  H8  1  0.641036  0.391924  0.321562  1
  H  H9  1  0.272579  0.447516  0.297752  1
  H  H10  1  0.598432  0.007196  0.292682  1
  H  H11  1  0.335347  0.896012  0.340301  1
  H  H12  1  0.265099  0.673862  0.292682  1
  H  H13  1  0.966890  0.951604  0.316492  1
  H  H14  1  0.002014  0.562678  0.340301  1
  H  H15  1  0.931766  0.340529  0.292682  1
  H  H16  1  0.633556  0.618270  0.316492  1
  H  H17  1  0.668681  0.229345  0.340301  1
  H  H18  1  0.300223  0.284937  0.316492  1
  H  H19  1  0.648105  0.214070  0.326353  1
  H  H20  1  0.279647  0.269662  0.302544  1
  H  H21  1  0.314771  0.880736  0.326353  1
  H  H22  1  0.016562  0.158478  0.350163  1
  H  H23  1  0.946314  0.936328  0.302544  1
  H  H24  1  0.981438  0.547403  0.326353  1
  H  H25  1  0.683229  0.825145  0.350163  1
  H  H26  1  0.612980  0.602995  0.302544  1
  H  H27  1  0.349896  0.491811  0.350163  1
  H  H28  1  0.675749  0.051491  0.345093  1
  H  H29  1  0.307292  0.107083  0.321283  1
  H  H30  1  0.342416  0.718158  0.345093  1
  H  H31  1  0.938834  0.162675  0.297474  1
  H  H32  1  0.973958  0.773750  0.321283  1
  H  H33  1  0.009083  0.384824  0.345093  1
  H  H34  1  0.605501  0.829341  0.297474  1
  H  H35  1  0.640625  0.440416  0.321283  1
  H  H36  1  0.272167  0.496008  0.297474  1
  H  H37  1  0.755016  0.141978  0.285848  1
  H  H38  1  0.491932  0.030795  0.333467  1
  H  H39  1  0.421683  0.808645  0.285848  1
  H  H40  1  0.123474  0.086386  0.309657  1
  H  H41  1  0.158598  0.697461  0.333467  1
  H  H42  1  0.088350  0.475311  0.285848  1
  H  H43  1  0.790141  0.753053  0.309657  1
  H  H44  1  0.825265  0.364128  0.333467  1
  H  H45  1  0.456807  0.419720  0.309657  1
  H  H46  1  0.782661  0.979400  0.304587  1
  H  H47  1  0.519576  0.868216  0.352206  1
  H  H48  1  0.449328  0.646066  0.304587  1
  H  H49  1  0.151119  0.923808  0.328397  1
  H  H50  1  0.186243  0.534883  0.352206  1
  H  H51  1  0.115994  0.312733  0.304587  1
  H  H52  1  0.817785  0.590474  0.328397  1
  H  H53  1  0.852910  0.201549  0.352206  1
  H  H54  1  0.484452  0.257141  0.328397  1
  H  H55  1  0.832334  0.186274  0.338258  1
  H  H56  1  0.463876  0.241866  0.314449  1
  H  H57  1  0.499000  0.852941  0.338258  1
  H  H58  1  0.095418  0.297458  0.290639  1
  H  H59  1  0.130543  0.908532  0.314449  1
  H  H60  1  0.165667  0.519607  0.338258  1
  H  H61  1  0.762085  0.964124  0.290639  1
  H  H62  1  0.797209  0.575199  0.314449  1
  H  H63  1  0.428751  0.630791  0.290639  1
  H  H64  1  0.859978  0.023695  0.356997  1
  H  H65  1  0.491520  0.079287  0.333188  1
  H  H66  1  0.526645  0.690362  0.356997  1
  H  H67  1  0.123063  0.134879  0.309378  1
  H  H68  1  0.158187  0.745954  0.333188  1
  H  H69  1  0.193312  0.357029  0.356997  1
  H  H70  1  0.789729  0.801545  0.309378  1
  H  H71  1  0.824854  0.412620  0.333188  1
  H  H72  1  0.456396  0.468212  0.309378  1
  H  H73  1  0.781534  0.836223  0.416800  1
  H  H74  1  0.413076  0.891815  0.392991  1
  H  H75  1  0.448200  0.502890  0.416800  1
  H  H76  1  0.044618  0.947407  0.369181  1
  H  H77  1  0.079743  0.558482  0.392991  1
  H  H78  1  0.114867  0.169557  0.416800  1
  H  H79  1  0.711285  0.614073  0.369181  1
  H  H80  1  0.746409  0.225148  0.392991  1
  H  H81  1  0.377952  0.280740  0.369181  1
  H  H82  1  0.703805  0.840420  0.364111  1
  H  H83  1  0.440721  0.729236  0.411730  1
  H  H84  1  0.370472  0.507087  0.364111  1
  H  H85  1  0.072263  0.784828  0.387920  1
  H  H86  1  0.107387  0.395903  0.411730  1
  H  H87  1  0.037139  0.173753  0.364111  1
  H  H88  1  0.738930  0.451495  0.387920  1
  H  H89  1  0.774054  0.062570  0.411730  1
  H  H90  1  0.405596  0.118162  0.387920  1
  H  H91  1  0.753478  0.047294  0.397782  1
  H  H92  1  0.385020  0.102886  0.373973  1
  H  H93  1  0.420145  0.713961  0.397782  1
  H  H94  1  0.121936  0.991702  0.421592  1
  H  H95  1  0.051687  0.769553  0.373973  1
  H  H96  1  0.086811  0.380628  0.397782  1
  H  H97  1  0.788602  0.658369  0.421592  1
  H  H98  1  0.718353  0.436219  0.373973  1
  H  H99  1  0.455269  0.325036  0.421592  1
  H  H100  1  0.781122  0.884716  0.416521  1
  H  H101  1  0.412665  0.940307  0.392712  1
  H  H102  1  0.447789  0.551382  0.416521  1
  H  H103  1  0.044207  0.995899  0.368902  1
  H  H104  1  0.079331  0.606974  0.392712  1
  H  H105  1  0.114456  0.218049  0.416521  1
  H  H106  1  0.710874  0.662566  0.368902  1
  H  H107  1  0.745998  0.273641  0.392712  1
  H  H108  1  0.377540  0.329233  0.368902  1
  H  H109  1  0.860389  0.975203  0.357276  1
  H  H110  1  0.597305  0.864019  0.404895  1
  H  H111  1  0.527056  0.641869  0.357276  1
  H  H112  1  0.228847  0.919611  0.381086  1
  H  H113  1  0.263972  0.530686  0.404895  1
  H  H114  1  0.193723  0.308536  0.357276  1
  H  H115  1  0.895514  0.586278  0.381086  1
  H  H116  1  0.930638  0.197352  0.404895  1
  H  H117  1  0.562181  0.252944  0.381086  1
  H  H118  1  0.888034  0.812624  0.376016  1
  H  H119  1  0.624949  0.701440  0.423635  1
  H  H120  1  0.554701  0.479291  0.376016  1
  H  H121  1  0.256492  0.757032  0.399825  1
  H  H122  1  0.291616  0.368107  0.423635  1
  H  H123  1  0.221367  0.145957  0.376016  1
  H  H124  1  0.923158  0.423699  0.399825  1
  H  H125  1  0.958283  0.034774  0.423635  1
  H  H126  1  0.589825  0.090366  0.399825  1
  H  H127  1  0.937707  0.019498  0.409687  1
  H  H128  1  0.569249  0.075090  0.385877  1
  H  H129  1  0.604373  0.686165  0.409687  1
  H  H130  1  0.200791  0.130682  0.362068  1
  H  H131  1  0.235916  0.741757  0.385877  1
  H  H132  1  0.271040  0.352832  0.409687  1
  H  H133  1  0.867458  0.797349  0.362068  1
  H  H134  1  0.902582  0.408424  0.385877  1
  H  H135  1  0.534125  0.464015  0.362068  1
  H  H136  1  0.965351  0.856920  0.428426  1
  H  H137  1  0.596894  0.912512  0.404617  1
  H  H138  1  0.632018  0.523586  0.428426  1
  H  H139  1  0.228436  0.968103  0.380807  1
  H  H140  1  0.263560  0.579178  0.404617  1
  H  H141  1  0.298685  0.190253  0.428426  1
  H  H142  1  0.895103  0.634770  0.380807  1
  H  H143  1  0.930227  0.245845  0.404617  1
  H  H144  1  0.561769  0.301437  0.380807  1
  H  H145  1  0.886907  0.669448  0.488229  1
  H  H146  1  0.518449  0.725040  0.464419  1
  H  H147  1  0.553574  0.336114  0.488229  1
  H  H148  1  0.149991  0.780631  0.440610  1
  H  H149  1  0.185116  0.391706  0.464419  1
  H  H150  1  0.220240  0.002781  0.488229  1
  H  H151  1  0.816658  0.447298  0.440610  1
  H  H152  1  0.851782  0.058373  0.464419  1
  H  H153  1  0.483325  0.113965  0.440610  1
  H  H154  1  0.809178  0.673645  0.435539  1
  H  H155  1  0.546094  0.562461  0.483158  1
  H  H156  1  0.475845  0.340311  0.435539  1
  H  H157  1  0.177636  0.618053  0.459349  1
  H  H158  1  0.212760  0.229128  0.483158  1
  H  H159  1  0.142512  0.006978  0.435539  1
  H  H160  1  0.844303  0.284719  0.459349  1
  H  H161  1  0.879427  0.895794  0.483158  1
  H  H162  1  0.510969  0.951386  0.459349  1
  H  H163  1  0.858851  0.880519  0.469211  1
  H  H164  1  0.490393  0.936111  0.445401  1
  H  H165  1  0.525518  0.547186  0.469211  1
  H  H166  1  0.227309  0.824927  0.493020  1
  H  H167  1  0.157060  0.602777  0.445401  1
  H  H168  1  0.192184  0.213852  0.469211  1
  H  H169  1  0.893975  0.491594  0.493020  1
  H  H170  1  0.823727  0.269444  0.445401  1
  H  H171  1  0.560642  0.158260  0.493020  1
  H  H172  1  0.886496  0.717940  0.487950  1
  H  H173  1  0.518038  0.773532  0.464140  1
  H  H174  1  0.553162  0.384607  0.487950  1
  H  H175  1  0.149580  0.829124  0.440331  1
  H  H176  1  0.184705  0.440199  0.464140  1
  H  H177  1  0.219829  0.051274  0.487950  1
  H  H178  1  0.816247  0.495790  0.440331  1
  H  H179  1  0.851371  0.106865  0.464140  1
  H  H180  1  0.482913  0.162457  0.440331  1
  H  H181  1  0.965763  0.808427  0.428705  1
  H  H182  1  0.702678  0.697244  0.476324  1
  H  H183  1  0.632429  0.475094  0.428705  1
  H  H184  1  0.334220  0.752835  0.452514  1
  H  H185  1  0.369345  0.363910  0.476324  1
  H  H186  1  0.299096  0.141761  0.428705  1
  H  H187  1  0.000887  0.419502  0.452514  1
  H  H188  1  0.036011  0.030577  0.476324  1
  H  H189  1  0.667554  0.086169  0.452514  1
  H  H190  1  0.993407  0.645849  0.447444  1
  H  H191  1  0.730323  0.534665  0.495063  1
  H  H192  1  0.660074  0.312515  0.447444  1
  H  H193  1  0.361865  0.590257  0.471254  1
  H  H194  1  0.396989  0.201332  0.495063  1
  H  H195  1  0.326741  0.979182  0.447444  1
  H  H196  1  0.028532  0.256923  0.471254  1
  H  H197  1  0.063656  0.867998  0.495063  1
  H  H198  1  0.695198  0.923590  0.471254  1
  H  H199  1  0.043080  0.852723  0.481115  1
  H  H200  1  0.674622  0.908315  0.457306  1
  H  H201  1  0.709746  0.519390  0.481115  1
  H  H202  1  0.306164  0.963907  0.433496  1
  H  H203  1  0.341289  0.574981  0.457306  1
  H  H204  1  0.376413  0.186056  0.481115  1
  H  H205  1  0.972831  0.630573  0.433496  1
  H  H206  1  0.007955  0.241648  0.457306  1
  H  H207  1  0.639498  0.297240  0.433496  1
  H  H208  1  0.070724  0.690144  0.499855  1
  H  H209  1  0.702267  0.745736  0.476045  1
  H  H210  1  0.737391  0.356811  0.499855  1
  H  H211  1  0.333809  0.801328  0.452236  1
  H  H212  1  0.368933  0.412403  0.476045  1
  H  H213  1  0.404058  0.023478  0.499855  1
  H  H214  1  0.000476  0.467995  0.452236  1
  H  H215  1  0.035600  0.079069  0.476045  1
  H  H216  1  0.667142  0.134661  0.452236  1
  H  H217  1  0.992280  0.502672  0.559657  1
  H  H218  1  0.623822  0.558264  0.535848  1
  H  H219  1  0.658947  0.169339  0.559657  1
  H  H220  1  0.255365  0.613856  0.512038  1
  H  H221  1  0.290489  0.224931  0.535848  1
  H  H222  1  0.325613  0.836006  0.559657  1
  H  H223  1  0.922031  0.280523  0.512038  1
  H  H224  1  0.957156  0.891597  0.535848  1
  H  H225  1  0.588698  0.947189  0.512038  1
  H  H226  1  0.914551  0.506869  0.506968  1
  H  H227  1  0.651467  0.395685  0.554587  1
  H  H228  1  0.581218  0.173536  0.506968  1
  H  H229  1  0.283009  0.451277  0.530777  1
  H  H230  1  0.318134  0.062352  0.554587  1
  H  H231  1  0.247885  0.840202  0.506968  1
  H  H232  1  0.949676  0.117944  0.530777  1
  H  H233  1  0.984800  0.729019  0.554587  1
  H  H234  1  0.616342  0.784611  0.530777  1
  H  H235  1  0.964224  0.713743  0.540639  1
  H  H236  1  0.595766  0.769335  0.516830  1
  H  H237  1  0.630891  0.380410  0.540639  1
  H  H238  1  0.332682  0.658152  0.564449  1
  H  H239  1  0.262433  0.436002  0.516830  1
  H  H240  1  0.297557  0.047077  0.540639  1
  H  H241  1  0.999348  0.324818  0.564449  1
  H  H242  1  0.929100  0.102669  0.516830  1
  H  H243  1  0.666015  0.991485  0.564449  1
  H  H244  1  0.991869  0.551165  0.559378  1
  H  H245  1  0.623411  0.606757  0.535569  1
  H  H246  1  0.658535  0.217831  0.559378  1
  H  H247  1  0.254953  0.662348  0.511759  1
  H  H248  1  0.290078  0.273423  0.535569  1
  H  H249  1  0.325202  0.884498  0.559378  1
  H  H250  1  0.921620  0.329015  0.511759  1
  H  H251  1  0.956744  0.940090  0.535569  1
  H  H252  1  0.588287  0.995682  0.511759  1
  H  H253  1  0.071136  0.641652  0.500133  1
  H  H254  1  0.808051  0.530468  0.547752  1
  H  H255  1  0.737802  0.308319  0.500133  1
  H  H256  1  0.439593  0.586060  0.523943  1
  H  H257  1  0.474718  0.197135  0.547752  1
  H  H258  1  0.404469  0.974985  0.500133  1
  H  H259  1  0.106260  0.252727  0.523943  1
  H  H260  1  0.141384  0.863802  0.547752  1
  H  H261  1  0.772927  0.919393  0.523943  1
  H  H262  1  0.098780  0.479073  0.518873  1
  H  H263  1  0.835696  0.367890  0.566492  1
  H  H264  1  0.765447  0.145740  0.518873  1
  H  H265  1  0.467238  0.423481  0.542682  1
  H  H266  1  0.502362  0.034556  0.566492  1
  H  H267  1  0.432114  0.812407  0.518873  1
  H  H268  1  0.133905  0.090148  0.542682  1
  H  H269  1  0.169029  0.701223  0.566492  1
  H  H270  1  0.800571  0.756815  0.542682  1
  H  H271  1  0.148453  0.685948  0.552544  1
  H  H272  1  0.779995  0.741539  0.528734  1
  H  H273  1  0.815120  0.352614  0.552544  1
  H  H274  1  0.411538  0.797131  0.504925  1
  H  H275  1  0.446662  0.408206  0.528734  1
  H  H276  1  0.481786  0.019281  0.552544  1
  H  H277  1  0.078204  0.463798  0.504925  1
  H  H278  1  0.113329  0.074873  0.528734  1
  H  H279  1  0.744871  0.130464  0.504925  1
  H  H280  1  0.176098  0.523369  0.571283  1
  H  H281  1  0.807640  0.578961  0.547474  1
  H  H282  1  0.842764  0.190036  0.571283  1
  H  H283  1  0.439182  0.634552  0.523664  1
  H  H284  1  0.474306  0.245627  0.547474  1
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  H  H349  1  0.183577  0.297022  0.576353  1
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  H  H360  1  0.877889  0.801110  0.595093  1
  H  H361  1  0.203026  0.169121  0.702514  1
  H  H362  1  0.834568  0.224713  0.678705  1
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  H  H367  1  0.132777  0.946972  0.654895  1
  H  H368  1  0.167902  0.558047  0.678705  1
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  H  H431  1  0.351719  0.578743  0.690331  1
  H  H432  1  0.983262  0.634335  0.666521  1
