# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.69984807
_cell_length_b   15.06844461
_cell_length_c   49.75439095
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.41745186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H504
_cell_volume   12422.8874206
_cell_formula_units_Z   252
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  0.100406  0.123993  0.276801  1
  H  H2  1  0.433739  0.790659  0.276801  1
  H  H3  1  0.366913  0.013939  0.321246  1
  H  H4  1  0.733660  0.068966  0.299024  1
  H  H5  1  0.066993  0.735632  0.299024  1
  H  H6  1  0.400326  0.402299  0.299024  1
  H  H7  1  0.767072  0.457326  0.276801  1
  H  H8  1  0.700247  0.680605  0.321246  1
  H  H9  1  0.033580  0.347272  0.321246  1
  H  H10  1  0.890735  0.934346  0.305402  1
  H  H11  1  0.224068  0.601012  0.305402  1
  H  H12  1  0.257481  0.989373  0.283180  1
  H  H13  1  0.523989  0.879319  0.327625  1
  H  H14  1  0.857322  0.545985  0.327625  1
  H  H15  1  0.190656  0.212652  0.327625  1
  H  H16  1  0.557402  0.267679  0.305402  1
  H  H17  1  0.590815  0.656039  0.283180  1
  H  H18  1  0.924148  0.322706  0.283180  1
  H  H19  1  0.173706  0.191566  0.316820  1
  H  H20  1  0.507039  0.858232  0.316820  1
  H  H21  1  0.540452  0.246593  0.294597  1
  H  H22  1  0.907198  0.301620  0.272375  1
  H  H23  1  0.240531  0.968286  0.272375  1
  H  H24  1  0.573865  0.634953  0.272375  1
  H  H25  1  0.840373  0.524899  0.316820  1
  H  H26  1  0.873785  0.913259  0.294597  1
  H  H27  1  0.207119  0.579926  0.294597  1
  H  H28  1  0.064274  0.166999  0.278754  1
  H  H29  1  0.397607  0.833666  0.278754  1
  H  H30  1  0.330781  0.056945  0.323199  1
  H  H31  1  0.697527  0.111972  0.300976  1
  H  H32  1  0.030861  0.778639  0.300976  1
  H  H33  1  0.364194  0.445306  0.300976  1
  H  H34  1  0.730940  0.500333  0.278754  1
  H  H35  1  0.664115  0.723612  0.323199  1
  H  H36  1  0.997448  0.390279  0.323199  1
  H  H37  1  0.917033  0.096479  0.287912  1
  H  H38  1  0.250366  0.763146  0.287912  1
  H  H39  1  0.183540  0.986425  0.332357  1
  H  H40  1  0.550287  0.041452  0.310135  1
  H  H41  1  0.883620  0.708119  0.310135  1
  H  H42  1  0.216953  0.374786  0.310135  1
  H  H43  1  0.583699  0.429813  0.287912  1
  H  H44  1  0.516874  0.653092  0.332357  1
  H  H45  1  0.850207  0.319759  0.332357  1
  H  H46  1  0.074108  0.961859  0.294291  1
  H  H47  1  0.407441  0.628526  0.294291  1
  H  H48  1  0.440854  0.016886  0.272069  1
  H  H49  1  0.707362  0.906832  0.316514  1
  H  H50  1  0.040695  0.573499  0.316514  1
  H  H51  1  0.374029  0.240165  0.316514  1
  H  H52  1  0.740775  0.295192  0.294291  1
  H  H53  1  0.774188  0.683553  0.272069  1
  H  H54  1  0.107521  0.350219  0.272069  1
  H  H55  1  0.990333  0.164052  0.327931  1
  H  H56  1  0.323666  0.830719  0.327931  1
  H  H57  1  0.357079  0.219079  0.305709  1
  H  H58  1  0.723825  0.274106  0.283486  1
  H  H59  1  0.057158  0.940773  0.283486  1
  H  H60  1  0.390492  0.607439  0.283486  1
  H  H61  1  0.656999  0.497385  0.327931  1
  H  H62  1  0.690412  0.885746  0.305709  1
  H  H63  1  0.023746  0.552412  0.305709  1
  H  H64  1  0.247647  0.194513  0.267643  1
  H  H65  1  0.580980  0.861179  0.267643  1
  H  H66  1  0.514154  0.084459  0.312087  1
  H  H67  1  0.880901  0.139486  0.289865  1
  H  H68  1  0.214234  0.806152  0.289865  1
  H  H69  1  0.547567  0.472819  0.289865  1
  H  H70  1  0.914313  0.527846  0.267643  1
  H  H71  1  0.847488  0.751125  0.312087  1
  H  H72  1  0.180821  0.417792  0.312087  1
  H  H73  1  0.000167  0.958912  0.343468  1
  H  H74  1  0.333501  0.625579  0.343468  1
  H  H75  1  0.266675  0.848858  0.387912  1
  H  H76  1  0.633421  0.903885  0.365690  1
  H  H77  1  0.966755  0.570552  0.365690  1
  H  H78  1  0.300088  0.237218  0.365690  1
  H  H79  1  0.666834  0.292245  0.343468  1
  H  H80  1  0.600008  0.515525  0.387912  1
  H  H81  1  0.933342  0.182191  0.387912  1
  H  H82  1  0.790497  0.769265  0.372069  1
  H  H83  1  0.123830  0.435931  0.372069  1
  H  H84  1  0.157243  0.824292  0.349847  1
  H  H85  1  0.423751  0.714238  0.394291  1
  H  H86  1  0.757084  0.380904  0.394291  1
  H  H87  1  0.090417  0.047571  0.394291  1
  H  H88  1  0.457163  0.102598  0.372069  1
  H  H89  1  0.490576  0.490958  0.349847  1
  H  H90  1  0.823909  0.157625  0.349847  1
  H  H91  1  0.073467  0.026485  0.383486  1
  H  H92  1  0.406801  0.693151  0.383486  1
  H  H93  1  0.440214  0.081512  0.361264  1
  H  H94  1  0.806960  0.136539  0.339042  1
  H  H95  1  0.140293  0.803205  0.339042  1
  H  H96  1  0.473626  0.469872  0.339042  1
  H  H97  1  0.740134  0.359818  0.383486  1
  H  H98  1  0.773547  0.748178  0.361264  1
  H  H99  1  0.106880  0.414845  0.361264  1
  H  H100  1  0.964035  0.001918  0.345421  1
  H  H101  1  0.297369  0.668585  0.345421  1
  H  H102  1  0.230543  0.891864  0.389865  1
  H  H103  1  0.597289  0.946891  0.367643  1
  H  H104  1  0.930622  0.613558  0.367643  1
  H  H105  1  0.263956  0.280225  0.367643  1
  H  H106  1  0.630702  0.335252  0.345421  1
  H  H107  1  0.563876  0.558531  0.389865  1
  H  H108  1  0.897210  0.225198  0.389865  1
  H  H109  1  0.816794  0.931398  0.354579  1
  H  H110  1  0.150128  0.598065  0.354579  1
  H  H111  1  0.083302  0.821344  0.399024  1
  H  H112  1  0.450048  0.876371  0.376801  1
  H  H113  1  0.783381  0.543038  0.376801  1
  H  H114  1  0.116715  0.209705  0.376801  1
  H  H115  1  0.483461  0.264732  0.354579  1
  H  H116  1  0.416635  0.488011  0.399024  1
  H  H117  1  0.749969  0.154678  0.399024  1
  H  H118  1  0.973870  0.796778  0.360958  1
  H  H119  1  0.307203  0.463445  0.360958  1
  H  H120  1  0.340616  0.851805  0.338736  1
  H  H121  1  0.607124  0.741751  0.383180  1
  H  H122  1  0.940457  0.408418  0.383180  1
  H  H123  1  0.273790  0.075084  0.383180  1
  H  H124  1  0.640536  0.130111  0.360958  1
  H  H125  1  0.673949  0.518472  0.338736  1
  H  H126  1  0.007283  0.185138  0.338736  1
  H  H127  1  0.890094  0.998971  0.394597  1
  H  H128  1  0.223428  0.665638  0.394597  1
  H  H129  1  0.256841  0.053998  0.372375  1
  H  H130  1  0.623587  0.109025  0.350153  1
  H  H131  1  0.956920  0.775692  0.350153  1
  H  H132  1  0.290253  0.442358  0.350153  1
  H  H133  1  0.556761  0.332304  0.394597  1
  H  H134  1  0.590174  0.720665  0.372375  1
  H  H135  1  0.923507  0.387331  0.372375  1
  H  H136  1  0.147408  0.029432  0.334310  1
  H  H137  1  0.480742  0.696098  0.334310  1
  H  H138  1  0.413916  0.919378  0.378754  1
  H  H139  1  0.780662  0.974405  0.356532  1
  H  H140  1  0.113995  0.641071  0.356532  1
  H  H141  1  0.447329  0.307738  0.356532  1
  H  H142  1  0.814075  0.362765  0.334310  1
  H  H143  1  0.747249  0.586044  0.378754  1
  H  H144  1  0.080583  0.252711  0.378754  1
  H  H145  1  0.899929  0.793831  0.410135  1
  H  H146  1  0.233262  0.460498  0.410135  1
  H  H147  1  0.166437  0.683777  0.454579  1
  H  H148  1  0.533183  0.738804  0.432357  1
  H  H149  1  0.866516  0.405471  0.432357  1
  H  H150  1  0.199849  0.072137  0.432357  1
  H  H151  1  0.566596  0.127164  0.410135  1
  H  H152  1  0.499770  0.350444  0.454579  1
  H  H153  1  0.833103  0.017110  0.454579  1
  H  H154  1  0.690258  0.604184  0.438736  1
  H  H155  1  0.023592  0.270850  0.438736  1
  H  H156  1  0.057004  0.659211  0.416514  1
  H  H157  1  0.323512  0.549157  0.460958  1
  H  H158  1  0.656845  0.215823  0.460958  1
  H  H159  1  0.990179  0.882490  0.460958  1
  H  H160  1  0.356925  0.937517  0.438736  1
  H  H161  1  0.390338  0.325877  0.416514  1
  H  H162  1  0.723671  0.992544  0.416514  1
  H  H163  1  0.973229  0.861404  0.450153  1
  H  H164  1  0.306562  0.528070  0.450153  1
  H  H165  1  0.339975  0.916431  0.427931  1
  H  H166  1  0.706721  0.971458  0.405709  1
  H  H167  1  0.040055  0.638124  0.405709  1
  H  H168  1  0.373388  0.304791  0.405709  1
  H  H169  1  0.639896  0.194737  0.450153  1
  H  H170  1  0.673309  0.583097  0.427931  1
  H  H171  1  0.006642  0.249764  0.427931  1
  H  H172  1  0.863797  0.836837  0.412087  1
  H  H173  1  0.197130  0.503504  0.412087  1
  H  H174  1  0.130305  0.726783  0.456532  1
  H  H175  1  0.497051  0.781810  0.434310  1
  H  H176  1  0.830384  0.448477  0.434310  1
  H  H177  1  0.163717  0.115144  0.434310  1
  H  H178  1  0.530463  0.170171  0.412087  1
  H  H179  1  0.463638  0.393450  0.456532  1
  H  H180  1  0.796971  0.060117  0.456532  1
  H  H181  1  0.716556  0.766317  0.421246  1
  H  H182  1  0.049889  0.432984  0.421246  1
  H  H183  1  0.983064  0.656263  0.465690  1
  H  H184  1  0.349810  0.711290  0.443468  1
  H  H185  1  0.683143  0.377957  0.443468  1
  H  H186  1  0.016476  0.044624  0.443468  1
  H  H187  1  0.383223  0.099651  0.421246  1
  H  H188  1  0.316397  0.322930  0.465690  1
  H  H189  1  0.649730  0.989597  0.465690  1
  H  H190  1  0.873631  0.631697  0.427625  1
  H  H191  1  0.206965  0.298364  0.427625  1
  H  H192  1  0.240377  0.686724  0.405402  1
  H  H193  1  0.506885  0.576670  0.449847  1
  H  H194  1  0.840219  0.243337  0.449847  1
  H  H195  1  0.173552  0.910003  0.449847  1
  H  H196  1  0.540298  0.965030  0.427625  1
  H  H197  1  0.573711  0.353391  0.405402  1
  H  H198  1  0.907044  0.020057  0.405402  1
  H  H199  1  0.789856  0.833890  0.461264  1
  H  H200  1  0.123189  0.500557  0.461264  1
  H  H201  1  0.156602  0.888917  0.439042  1
  H  H202  1  0.523348  0.943944  0.416820  1
  H  H203  1  0.856682  0.610611  0.416820  1
  H  H204  1  0.190015  0.277277  0.416820  1
  H  H205  1  0.456523  0.167223  0.461264  1
  H  H206  1  0.489935  0.555584  0.439042  1
  H  H207  1  0.823269  0.222250  0.439042  1
  H  H208  1  0.047170  0.864351  0.400976  1
  H  H209  1  0.380503  0.531018  0.400976  1
  H  H210  1  0.313678  0.754297  0.445421  1
  H  H211  1  0.680424  0.809324  0.423199  1
  H  H212  1  0.013757  0.475991  0.423199  1
  H  H213  1  0.347090  0.142657  0.423199  1
  H  H214  1  0.713837  0.197684  0.400976  1
  H  H215  1  0.647011  0.420964  0.445421  1
  H  H216  1  0.980344  0.087630  0.445421  1
  H  H217  1  0.799691  0.628750  0.476801  1
  H  H218  1  0.133024  0.295417  0.476801  1
  H  H219  1  0.066198  0.518696  0.521246  1
  H  H220  1  0.432944  0.573723  0.499024  1
  H  H221  1  0.766278  0.240390  0.499024  1
  H  H222  1  0.099611  0.907056  0.499024  1
  H  H223  1  0.466357  0.962083  0.476801  1
  H  H224  1  0.399532  0.185363  0.521246  1
  H  H225  1  0.732865  0.852029  0.521246  1
  H  H226  1  0.590020  0.439103  0.505402  1
  H  H227  1  0.923353  0.105769  0.505402  1
  H  H228  1  0.956766  0.494130  0.483180  1
  H  H229  1  0.223274  0.384076  0.527625  1
  H  H230  1  0.556607  0.050742  0.527625  1
  H  H231  1  0.889940  0.717409  0.527625  1
  H  H232  1  0.256687  0.772436  0.505402  1
  H  H233  1  0.290099  0.160796  0.483180  1
  H  H234  1  0.623433  0.827463  0.483180  1
  H  H235  1  0.872991  0.696323  0.516820  1
  H  H236  1  0.206324  0.362989  0.516820  1
  H  H237  1  0.239737  0.751350  0.494597  1
  H  H238  1  0.606483  0.806377  0.472375  1
  H  H239  1  0.939816  0.473043  0.472375  1
  H  H240  1  0.273150  0.139710  0.472375  1
  H  H241  1  0.539657  0.029656  0.516820  1
  H  H242  1  0.573070  0.418016  0.494597  1
  H  H243  1  0.906403  0.084683  0.494597  1
  H  H244  1  0.763558  0.671756  0.478754  1
  H  H245  1  0.096892  0.338423  0.478754  1
  H  H246  1  0.030066  0.561702  0.523199  1
  H  H247  1  0.396812  0.616729  0.500976  1
  H  H248  1  0.730146  0.283396  0.500976  1
  H  H249  1  0.063479  0.950063  0.500976  1
  H  H250  1  0.430225  0.005090  0.478754  1
  H  H251  1  0.363399  0.228369  0.523199  1
  H  H252  1  0.696733  0.895036  0.523199  1
  H  H253  1  0.616317  0.601236  0.487912  1
  H  H254  1  0.949651  0.267903  0.487912  1
  H  H255  1  0.882825  0.491182  0.532357  1
  H  H256  1  0.249571  0.546209  0.510135  1
  H  H257  1  0.582905  0.212876  0.510135  1
  H  H258  1  0.916238  0.879543  0.510135  1
  H  H259  1  0.282984  0.934570  0.487912  1
  H  H260  1  0.216159  0.157849  0.532357  1
  H  H261  1  0.549492  0.824516  0.532357  1
  H  H262  1  0.773393  0.466616  0.494291  1
  H  H263  1  0.106726  0.133283  0.494291  1
  H  H264  1  0.140139  0.521643  0.472069  1
  H  H265  1  0.406647  0.411589  0.516514  1
  H  H266  1  0.739980  0.078256  0.516514  1
  H  H267  1  0.073313  0.744923  0.516514  1
  H  H268  1  0.440060  0.799950  0.494291  1
  H  H269  1  0.473472  0.188310  0.472069  1
  H  H270  1  0.806806  0.854976  0.472069  1
  H  H271  1  0.689618  0.668809  0.527931  1
  H  H272  1  0.022951  0.335476  0.527931  1
  H  H273  1  0.056364  0.723836  0.505709  1
  H  H274  1  0.423110  0.778863  0.483486  1
  H  H275  1  0.756443  0.445530  0.483486  1
  H  H276  1  0.089777  0.112196  0.483486  1
  H  H277  1  0.356284  0.002142  0.527931  1
  H  H278  1  0.389697  0.390503  0.505709  1
  H  H279  1  0.723030  0.057169  0.505709  1
  H  H280  1  0.946931  0.699270  0.467643  1
  H  H281  1  0.280265  0.365937  0.467643  1
  H  H282  1  0.213439  0.589216  0.512087  1
  H  H283  1  0.580185  0.644243  0.489865  1
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  H  H463  1  0.096097  0.121486  0.700976  1
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  H  H468  1  0.396018  0.399793  0.723199  1
  H  H469  1  0.315602  0.105993  0.687912  1
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  H  H471  1  0.582110  0.995939  0.732357  1
  H  H472  1  0.948856  0.050966  0.710135  1
  H  H473  1  0.282189  0.717633  0.710135  1
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  H  H485  1  0.172757  0.693067  0.672069  1
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  H  H489  1  0.755649  0.228593  0.705709  1
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  H  H502  1  0.312883  0.537360  0.667643  1
  H  H503  1  0.246057  0.760640  0.712087  1
  H  H504  1  0.579391  0.427306  0.712087  1
