# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80770831
_cell_length_b   15.53650651
_cell_length_c   46.86621408
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.45246437
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H378
_cell_volume   6393.8658618
_cell_formula_units_Z   189
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  0.859792  0.597147  0.284960  1
  H  H2  1  0.544383  0.585380  0.299144  1
  H  H3  1  0.193126  0.263814  0.284960  1
  H  H4  1  0.368755  0.424597  0.292052  1
  H  H5  1  0.850830  0.269698  0.277868  1
  H  H6  1  0.026459  0.430481  0.284960  1
  H  H7  1  0.202088  0.591264  0.292052  1
  H  H8  1  0.526459  0.930481  0.284960  1
  H  H9  1  0.702088  0.091264  0.292052  1
  H  H10  1  0.711050  0.418713  0.299144  1
  H  H11  1  0.184164  0.936365  0.277868  1
  H  H12  1  0.359792  0.097147  0.284960  1
  H  H13  1  0.535421  0.257930  0.292052  1
  H  H14  1  0.035421  0.757930  0.292052  1
  H  H15  1  0.044383  0.085380  0.299144  1
  H  H16  1  0.693126  0.763814  0.284960  1
  H  H17  1  0.868755  0.924597  0.292052  1
  H  H18  1  0.350830  0.769698  0.277868  1
  H  H19  1  0.883983  0.581266  0.304103  1
  H  H20  1  0.568573  0.569498  0.318287  1
  H  H21  1  0.217316  0.247932  0.304103  1
  H  H22  1  0.392945  0.408715  0.311195  1
  H  H23  1  0.875021  0.253816  0.297011  1
  H  H24  1  0.050649  0.414599  0.304103  1
  H  H25  1  0.226278  0.575382  0.311195  1
  H  H26  1  0.550649  0.914599  0.304103  1
  H  H27  1  0.726278  0.075382  0.311195  1
  H  H28  1  0.735240  0.402831  0.318287  1
  H  H29  1  0.208354  0.920483  0.297011  1
  H  H30  1  0.383983  0.081266  0.304103  1
  H  H31  1  0.559611  0.242049  0.311195  1
  H  H32  1  0.059611  0.742049  0.311195  1
  H  H33  1  0.068573  0.069498  0.318287  1
  H  H34  1  0.717316  0.747932  0.304103  1
  H  H35  1  0.892945  0.908715  0.311195  1
  H  H36  1  0.375021  0.753816  0.297011  1
  H  H37  1  0.912604  0.562475  0.326753  1
  H  H38  1  0.597195  0.550707  0.340937  1
  H  H39  1  0.245937  0.229142  0.326753  1
  H  H40  1  0.421566  0.389924  0.333845  1
  H  H41  1  0.903642  0.235025  0.319660  1
  H  H42  1  0.079271  0.395808  0.326753  1
  H  H43  1  0.254899  0.556591  0.333845  1
  H  H44  1  0.579271  0.895808  0.326753  1
  H  H45  1  0.754899  0.056591  0.333845  1
  H  H46  1  0.763862  0.384040  0.340937  1
  H  H47  1  0.236975  0.901692  0.319660  1
  H  H48  1  0.412604  0.062475  0.326753  1
  H  H49  1  0.588233  0.223258  0.333845  1
  H  H50  1  0.088233  0.723258  0.333845  1
  H  H51  1  0.097195  0.050707  0.340937  1
  H  H52  1  0.745937  0.729142  0.326753  1
  H  H53  1  0.921566  0.889924  0.333845  1
  H  H54  1  0.403642  0.735025  0.319660  1
  H  H55  1  0.938849  0.545244  0.347522  1
  H  H56  1  0.623440  0.533476  0.361706  1
  H  H57  1  0.272183  0.211911  0.347522  1
  H  H58  1  0.447811  0.372693  0.354614  1
  H  H59  1  0.929887  0.217795  0.340430  1
  H  H60  1  0.105516  0.378577  0.347522  1
  H  H61  1  0.281145  0.539360  0.354614  1
  H  H62  1  0.605516  0.878577  0.347522  1
  H  H63  1  0.781145  0.039360  0.354614  1
  H  H64  1  0.790107  0.366809  0.361706  1
  H  H65  1  0.263221  0.884461  0.340430  1
  H  H66  1  0.438849  0.045244  0.347522  1
  H  H67  1  0.614478  0.206027  0.354614  1
  H  H68  1  0.114478  0.706027  0.354614  1
  H  H69  1  0.123440  0.033476  0.361706  1
  H  H70  1  0.772183  0.711911  0.347522  1
  H  H71  1  0.947811  0.872693  0.354614  1
  H  H72  1  0.429887  0.717795  0.340430  1
  H  H73  1  0.966073  0.527370  0.369066  1
  H  H74  1  0.650664  0.515603  0.383250  1
  H  H75  1  0.299407  0.194037  0.369066  1
  H  H76  1  0.475035  0.354820  0.376158  1
  H  H77  1  0.957111  0.199921  0.361974  1
  H  H78  1  0.132740  0.360704  0.369066  1
  H  H79  1  0.308369  0.521487  0.376158  1
  H  H80  1  0.632740  0.860704  0.369066  1
  H  H81  1  0.808369  0.021487  0.376158  1
  H  H82  1  0.817331  0.348936  0.383250  1
  H  H83  1  0.290445  0.866588  0.361974  1
  H  H84  1  0.466073  0.027370  0.369066  1
  H  H85  1  0.641702  0.188153  0.376158  1
  H  H86  1  0.141702  0.688153  0.376158  1
  H  H87  1  0.150664  0.015603  0.383250  1
  H  H88  1  0.799407  0.694037  0.369066  1
  H  H89  1  0.975035  0.854820  0.376158  1
  H  H90  1  0.457111  0.699921  0.361974  1
  H  H91  1  0.992826  0.509806  0.390237  1
  H  H92  1  0.677417  0.498039  0.404421  1
  H  H93  1  0.326159  0.176473  0.390237  1
  H  H94  1  0.501788  0.337256  0.397329  1
  H  H95  1  0.983864  0.182357  0.383145  1
  H  H96  1  0.159493  0.343140  0.390237  1
  H  H97  1  0.335121  0.503923  0.397329  1
  H  H98  1  0.659493  0.843140  0.390237  1
  H  H99  1  0.835121  0.003923  0.397329  1
  H  H100  1  0.844084  0.331372  0.404421  1
  H  H101  1  0.317197  0.849024  0.383145  1
  H  H102  1  0.492826  0.009806  0.390237  1
  H  H103  1  0.668455  0.170589  0.397329  1
  H  H104  1  0.168455  0.670589  0.397329  1
  H  H105  1  0.177417  0.998039  0.404421  1
  H  H106  1  0.826159  0.676473  0.390237  1
  H  H107  1  0.001788  0.837256  0.397329  1
  H  H108  1  0.483864  0.682357  0.383145  1
  H  H109  1  0.019793  0.492102  0.411577  1
  H  H110  1  0.704384  0.480334  0.425762  1
  H  H111  1  0.353126  0.158769  0.411577  1
  H  H112  1  0.528755  0.319551  0.418669  1
  H  H113  1  0.010831  0.164652  0.404485  1
  H  H114  1  0.186460  0.325435  0.411577  1
  H  H115  1  0.362088  0.486218  0.418669  1
  H  H116  1  0.686460  0.825435  0.411577  1
  H  H117  1  0.862088  0.986218  0.418669  1
  H  H118  1  0.871050  0.313667  0.425762  1
  H  H119  1  0.344164  0.831319  0.404485  1
  H  H120  1  0.519793  0.992102  0.411577  1
  H  H121  1  0.695422  0.152885  0.418669  1
  H  H122  1  0.195422  0.652885  0.418669  1
  H  H123  1  0.204384  0.980334  0.425762  1
  H  H124  1  0.853126  0.658769  0.411577  1
  H  H125  1  0.028755  0.819551  0.418669  1
  H  H126  1  0.510831  0.664652  0.404485  1
  H  H127  1  0.046659  0.474463  0.432838  1
  H  H128  1  0.731250  0.462695  0.447023  1
  H  H129  1  0.379993  0.141130  0.432838  1
  H  H130  1  0.555622  0.301912  0.439930  1
  H  H131  1  0.037697  0.147014  0.425746  1
  H  H132  1  0.213326  0.307796  0.432838  1
  H  H133  1  0.388955  0.468579  0.439930  1
  H  H134  1  0.713326  0.807796  0.432838  1
  H  H135  1  0.888955  0.968579  0.439930  1
  H  H136  1  0.897917  0.296029  0.447023  1
  H  H137  1  0.371031  0.813680  0.425746  1
  H  H138  1  0.546659  0.974463  0.432838  1
  H  H139  1  0.722288  0.135246  0.439930  1
  H  H140  1  0.222288  0.635246  0.439930  1
  H  H141  1  0.231250  0.962695  0.447023  1
  H  H142  1  0.879993  0.641130  0.432838  1
  H  H143  1  0.055622  0.801912  0.439930  1
  H  H144  1  0.537697  0.647014  0.425746  1
  H  H145  1  0.073572  0.456794  0.454136  1
  H  H146  1  0.758163  0.445026  0.468320  1
  H  H147  1  0.406905  0.123461  0.454136  1
  H  H148  1  0.582534  0.284243  0.461228  1
  H  H149  1  0.064610  0.129345  0.447043  1
  H  H150  1  0.240239  0.290127  0.454136  1
  H  H151  1  0.415867  0.450910  0.461228  1
  H  H152  1  0.740239  0.790127  0.454136  1
  H  H153  1  0.915867  0.950910  0.461228  1
  H  H154  1  0.924830  0.278360  0.468320  1
  H  H155  1  0.397943  0.796011  0.447043  1
  H  H156  1  0.573572  0.956794  0.454136  1
  H  H157  1  0.749201  0.117577  0.461228  1
  H  H158  1  0.249201  0.617577  0.461228  1
  H  H159  1  0.258163  0.945026  0.468320  1
  H  H160  1  0.906905  0.623461  0.454136  1
  H  H161  1  0.082534  0.784243  0.461228  1
  H  H162  1  0.564610  0.629345  0.447043  1
  H  H163  1  0.100464  0.439139  0.475417  1
  H  H164  1  0.785055  0.427371  0.489601  1
  H  H165  1  0.433797  0.105805  0.475417  1
  H  H166  1  0.609426  0.266588  0.482509  1
  H  H167  1  0.091502  0.111689  0.468325  1
  H  H168  1  0.267131  0.272472  0.475417  1
  H  H169  1  0.442759  0.433255  0.482509  1
  H  H170  1  0.767131  0.772472  0.475417  1
  H  H171  1  0.942759  0.933255  0.482509  1
  H  H172  1  0.951721  0.260704  0.489601  1
  H  H173  1  0.424835  0.778356  0.468325  1
  H  H174  1  0.600464  0.939139  0.475417  1
  H  H175  1  0.776093  0.099921  0.482509  1
  H  H176  1  0.276093  0.599921  0.482509  1
  H  H177  1  0.285055  0.927371  0.489601  1
  H  H178  1  0.933797  0.605805  0.475417  1
  H  H179  1  0.109426  0.766588  0.482509  1
  H  H180  1  0.591502  0.611689  0.468325  1
  H  H181  1  0.127364  0.421478  0.496704  1
  H  H182  1  0.811955  0.409710  0.510889  1
  H  H183  1  0.460697  0.088145  0.496704  1
  H  H184  1  0.636326  0.248927  0.503796  1
  H  H185  1  0.118402  0.094029  0.489612  1
  H  H186  1  0.294031  0.254811  0.496704  1
  H  H187  1  0.469659  0.415594  0.503796  1
  H  H188  1  0.794031  0.754811  0.496704  1
  H  H189  1  0.969659  0.915594  0.503796  1
  H  H190  1  0.978621  0.243043  0.510889  1
  H  H191  1  0.451735  0.760695  0.489612  1
  H  H192  1  0.627364  0.921478  0.496704  1
  H  H193  1  0.802993  0.082261  0.503796  1
  H  H194  1  0.302993  0.582261  0.503796  1
  H  H195  1  0.311955  0.909710  0.510889  1
  H  H196  1  0.960697  0.588145  0.496704  1
  H  H197  1  0.136326  0.748927  0.503796  1
  H  H198  1  0.618402  0.594029  0.489612  1
  H  H199  1  0.154264  0.403817  0.517991  1
  H  H200  1  0.838854  0.392049  0.532176  1
  H  H201  1  0.487597  0.070484  0.517991  1
  H  H202  1  0.663226  0.231267  0.525084  1
  H  H203  1  0.145302  0.076368  0.510899  1
  H  H204  1  0.320930  0.237151  0.517991  1
  H  H205  1  0.496559  0.397933  0.525084  1
  H  H206  1  0.820930  0.737151  0.517991  1
  H  H207  1  0.996559  0.897933  0.525084  1
  H  H208  1  0.005521  0.225383  0.532176  1
  H  H209  1  0.478635  0.743035  0.510899  1
  H  H210  1  0.654264  0.903817  0.517991  1
  H  H211  1  0.829892  0.064600  0.525084  1
  H  H212  1  0.329892  0.564600  0.525084  1
  H  H213  1  0.338854  0.892049  0.532176  1
  H  H214  1  0.987597  0.570484  0.517991  1
  H  H215  1  0.163226  0.731267  0.525084  1
  H  H216  1  0.645302  0.576368  0.510899  1
  H  H217  1  0.181156  0.386162  0.539273  1
  H  H218  1  0.865746  0.374394  0.553457  1
  H  H219  1  0.514489  0.052828  0.539273  1
  H  H220  1  0.690118  0.213611  0.546365  1
  H  H221  1  0.172194  0.058712  0.532180  1
  H  H222  1  0.347822  0.219495  0.539273  1
  H  H223  1  0.523451  0.380278  0.546365  1
  H  H224  1  0.847822  0.719495  0.539273  1
  H  H225  1  0.023451  0.880278  0.546365  1
  H  H226  1  0.032413  0.207727  0.553457  1
  H  H227  1  0.505527  0.725379  0.532180  1
  H  H228  1  0.681156  0.886162  0.539273  1
  H  H229  1  0.856784  0.046945  0.546365  1
  H  H230  1  0.356784  0.546945  0.546365  1
  H  H231  1  0.365746  0.874394  0.553457  1
  H  H232  1  0.014489  0.552828  0.539273  1
  H  H233  1  0.190118  0.713611  0.546365  1
  H  H234  1  0.672194  0.558712  0.532180  1
  H  H235  1  0.208068  0.368493  0.560570  1
  H  H236  1  0.892659  0.356725  0.574754  1
  H  H237  1  0.541402  0.035160  0.560570  1
  H  H238  1  0.717030  0.195942  0.567662  1
  H  H239  1  0.199106  0.041043  0.553478  1
  H  H240  1  0.374735  0.201826  0.560570  1
  H  H241  1  0.550364  0.362609  0.567662  1
  H  H242  1  0.874735  0.701826  0.560570  1
  H  H243  1  0.050364  0.862609  0.567662  1
  H  H244  1  0.059326  0.190058  0.574754  1
  H  H245  1  0.532439  0.707710  0.553478  1
  H  H246  1  0.708068  0.868493  0.560570  1
  H  H247  1  0.883697  0.029276  0.567662  1
  H  H248  1  0.383697  0.529276  0.567662  1
  H  H249  1  0.392659  0.856725  0.574754  1
  H  H250  1  0.041402  0.535160  0.560570  1
  H  H251  1  0.217030  0.695942  0.567662  1
  H  H252  1  0.699106  0.541043  0.553478  1
  H  H253  1  0.234935  0.350854  0.581831  1
  H  H254  1  0.919526  0.339086  0.596016  1
  H  H255  1  0.568268  0.017521  0.581831  1
  H  H256  1  0.743897  0.178303  0.588923  1
  H  H257  1  0.225973  0.023405  0.574739  1
  H  H258  1  0.401602  0.184187  0.581831  1
  H  H259  1  0.577230  0.344970  0.588923  1
  H  H260  1  0.901602  0.684187  0.581831  1
  H  H261  1  0.077230  0.844970  0.588923  1
  H  H262  1  0.086192  0.172420  0.596016  1
  H  H263  1  0.559306  0.690071  0.574739  1
  H  H264  1  0.734935  0.850854  0.581831  1
  H  H265  1  0.910564  0.011637  0.588923  1
  H  H266  1  0.410564  0.511637  0.588923  1
  H  H267  1  0.419526  0.839086  0.596016  1
  H  H268  1  0.068268  0.517521  0.581831  1
  H  H269  1  0.243897  0.678303  0.588923  1
  H  H270  1  0.725973  0.523405  0.574739  1
  H  H271  1  0.261902  0.333149  0.603171  1
  H  H272  1  0.946492  0.321382  0.617356  1
  H  H273  1  0.595235  0.999816  0.603171  1
  H  H274  1  0.770864  0.160599  0.610264  1
  H  H275  1  0.252940  0.005700  0.596079  1
  H  H276  1  0.428568  0.166483  0.603171  1
  H  H277  1  0.604197  0.327266  0.610264  1
  H  H278  1  0.928568  0.666483  0.603171  1
  H  H279  1  0.104197  0.827266  0.610264  1
  H  H280  1  0.113159  0.154715  0.617356  1
  H  H281  1  0.586273  0.672367  0.596079  1
  H  H282  1  0.761902  0.833149  0.603171  1
  H  H283  1  0.937530  0.993932  0.610264  1
  H  H284  1  0.437530  0.493932  0.610264  1
  H  H285  1  0.446492  0.821382  0.617356  1
  H  H286  1  0.095235  0.499816  0.603171  1
  H  H287  1  0.270864  0.660599  0.610264  1
  H  H288  1  0.752940  0.505700  0.596079  1
  H  H289  1  0.288654  0.315585  0.624342  1
  H  H290  1  0.973245  0.303818  0.638527  1
  H  H291  1  0.621988  0.982252  0.624342  1
  H  H292  1  0.797616  0.143035  0.631435  1
  H  H293  1  0.279692  0.988136  0.617250  1
  H  H294  1  0.455321  0.148919  0.624342  1
  H  H295  1  0.630950  0.309701  0.631435  1
  H  H296  1  0.955321  0.648919  0.624342  1
  H  H297  1  0.130950  0.809701  0.631435  1
  H  H298  1  0.139912  0.137151  0.638527  1
  H  H299  1  0.613026  0.654803  0.617250  1
  H  H300  1  0.788654  0.815585  0.624342  1
  H  H301  1  0.964283  0.976368  0.631435  1
  H  H302  1  0.464283  0.476368  0.631435  1
  H  H303  1  0.473245  0.803818  0.638527  1
  H  H304  1  0.121988  0.482252  0.624342  1
  H  H305  1  0.297616  0.643035  0.631435  1
  H  H306  1  0.779692  0.488136  0.617250  1
  H  H307  1  0.315878  0.297712  0.645886  1
  H  H308  1  0.000469  0.285944  0.660071  1
  H  H309  1  0.649212  0.964379  0.645886  1
  H  H310  1  0.824840  0.125161  0.652978  1
  H  H311  1  0.306916  0.970262  0.638794  1
  H  H312  1  0.482545  0.131045  0.645886  1
  H  H313  1  0.658174  0.291828  0.652978  1
  H  H314  1  0.982545  0.631045  0.645886  1
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  H  H316  1  0.167136  0.119277  0.660071  1
  H  H317  1  0.640250  0.636929  0.638794  1
  H  H318  1  0.815878  0.797712  0.645886  1
  H  H319  1  0.991507  0.958495  0.652978  1
  H  H320  1  0.491507  0.458495  0.652978  1
  H  H321  1  0.500469  0.785944  0.660071  1
  H  H322  1  0.149212  0.464379  0.645886  1
  H  H323  1  0.324840  0.625161  0.652978  1
  H  H324  1  0.806916  0.470262  0.638794  1
  H  H325  1  0.342124  0.280481  0.666656  1
  H  H326  1  0.026714  0.268713  0.680840  1
  H  H327  1  0.675457  0.947148  0.666656  1
  H  H328  1  0.851086  0.107930  0.673748  1
  H  H329  1  0.333162  0.953032  0.659563  1
  H  H330  1  0.508790  0.113814  0.666656  1
  H  H331  1  0.684419  0.274597  0.673748  1
  H  H332  1  0.008790  0.613814  0.666656  1
  H  H333  1  0.184419  0.774597  0.673748  1
  H  H334  1  0.193381  0.102046  0.680840  1
  H  H335  1  0.666495  0.619698  0.659563  1
  H  H336  1  0.842124  0.780481  0.666656  1
  H  H337  1  0.017752  0.941264  0.673748  1
  H  H338  1  0.517752  0.441264  0.673748  1
  H  H339  1  0.526714  0.768713  0.680840  1
  H  H340  1  0.175457  0.447148  0.666656  1
  H  H341  1  0.351086  0.607930  0.673748  1
  H  H342  1  0.833162  0.453032  0.659563  1
  H  H343  1  0.370745  0.261690  0.689305  1
  H  H344  1  0.055336  0.249922  0.703490  1
  H  H345  1  0.704078  0.928357  0.689305  1
  H  H346  1  0.879707  0.089139  0.696398  1
  H  H347  1  0.361783  0.934241  0.682213  1
  H  H348  1  0.537412  0.095023  0.689305  1
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  H  H357  1  0.555336  0.749922  0.703490  1
  H  H358  1  0.204078  0.428357  0.689305  1
  H  H359  1  0.379707  0.589139  0.696398  1
  H  H360  1  0.861783  0.434241  0.682213  1
  H  H361  1  0.394935  0.245808  0.708448  1
  H  H362  1  0.079526  0.234041  0.722633  1
  H  H363  1  0.728269  0.912475  0.708448  1
  H  H364  1  0.903897  0.073258  0.715541  1
  H  H365  1  0.385973  0.918359  0.701356  1
  H  H366  1  0.561602  0.079142  0.708448  1
  H  H367  1  0.737231  0.239925  0.715541  1
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  H  H369  1  0.237231  0.739925  0.715541  1
  H  H370  1  0.246193  0.067374  0.722633  1
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  H  H373  1  0.070564  0.906591  0.715541  1
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  H  H375  1  0.579526  0.734041  0.722633  1
  H  H376  1  0.228269  0.412475  0.708448  1
  H  H377  1  0.403897  0.573258  0.715541  1
  H  H378  1  0.885973  0.418359  0.701356  1
