# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53671127
_cell_length_b   9.70524435
_cell_length_c   48.41330623
_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   H176
_cell_volume   3541.22151786
_cell_formula_units_Z   88
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  0.844330  1.069441  0.299141  1
  H  H2  1  0.835418  0.597845  0.279206  1
  H  H3  1  0.585313  1.018351  0.270669  1
  H  H4  1  0.570384  0.475680  0.290843  1
  H  H5  1  0.325022  1.143745  0.259225  1
  H  H6  1  0.318247  0.613042  0.279313  1
  H  H7  1  0.084101  0.211265  0.287959  1
  H  H8  1  0.076286  0.745247  0.267816  1
  H  H9  1  0.818666  0.316197  0.299039  1
  H  H10  1  0.818260  0.858853  0.279072  1
  H  H11  1  0.591073  0.261549  0.269563  1
  H  H12  1  0.579309  0.719455  0.289620  1
  H  H13  1  0.322637  0.392110  0.259295  1
  H  H14  1  0.340088  0.865688  0.277683  1
  H  H15  1  0.080799  0.452515  0.287451  1
  H  H16  1  0.074681  0.997476  0.267085  1
  H  H17  1  0.842197  0.958179  0.341322  1
  H  H18  1  0.840727  0.510379  0.322536  1
  H  H19  1  0.579481  0.922583  0.313177  1
  H  H20  1  0.580554  0.370840  0.333050  1
  H  H21  1  0.317218  1.059405  0.302305  1
  H  H22  1  0.314802  0.509189  0.321404  1
  H  H23  1  0.079307  1.102753  0.330566  1
  H  H24  1  0.077387  0.654269  0.310958  1
  H  H25  1  0.817489  0.204758  0.341137  1
  H  H26  1  0.815373  0.755144  0.320786  1
  H  H27  1  0.580895  1.161587  0.311916  1
  H  H28  1  0.577265  0.611682  0.331702  1
  H  H29  1  0.347098  0.303826  0.301573  1
  H  H30  1  0.341146  0.757531  0.320146  1
  H  H31  1  0.079962  0.343152  0.329437  1
  H  H32  1  0.079267  0.893901  0.308965  1
  H  H33  1  0.841543  0.851507  0.383432  1
  H  H34  1  0.841887  0.402455  0.363361  1
  H  H35  1  0.579440  0.816035  0.354234  1
  H  H36  1  0.579671  0.264183  0.374704  1
  H  H37  1  0.316402  0.954005  0.343007  1
  H  H38  1  0.317514  0.403492  0.362842  1
  H  H39  1  0.078643  0.996035  0.372309  1
  H  H40  1  0.079574  0.548038  0.352142  1
  H  H41  1  0.817094  1.097484  0.382950  1
  H  H42  1  0.816286  0.650392  0.362556  1
  H  H43  1  0.579820  1.057104  0.353275  1
  H  H44  1  0.579268  0.505212  0.373569  1
  H  H45  1  0.342136  0.200908  0.342603  1
  H  H46  1  0.341441  0.650798  0.362105  1
  H  H47  1  0.079240  0.236568  0.371289  1
  H  H48  1  0.078235  0.789582  0.350730  1
  H  H49  1  0.841646  0.744093  0.425223  1
  H  H50  1  0.841678  0.296453  0.404750  1
  H  H51  1  0.579177  0.710386  0.395686  1
  H  H52  1  0.579271  1.157511  0.416389  1
  H  H53  1  0.316429  0.848875  0.384142  1
  H  H54  1  0.316747  0.297004  0.404535  1
  H  H55  1  0.078961  0.889159  0.414061  1
  H  H56  1  0.079396  0.441826  0.393457  1
  H  H57  1  0.816698  0.990556  0.424755  1
  H  H58  1  0.816586  0.543188  0.404153  1
  H  H59  1  0.579305  0.951055  0.394669  1
  H  H60  1  0.579085  0.398228  0.415315  1
  H  H61  1  0.341388  1.095385  0.383738  1
  H  H62  1  0.341760  0.543733  0.403928  1
  H  H63  1  0.079036  1.129707  0.413037  1
  H  H64  1  0.078782  0.682856  0.392358  1
  H  H65  1  0.841707  0.637234  0.466940  1
  H  H66  1  0.841676  0.190116  0.446305  1
  H  H67  1  0.579202  0.604012  0.437248  1
  H  H68  1  0.579163  1.050844  0.458031  1
  H  H69  1  0.316538  0.742982  0.425588  1
  H  H70  1  0.316560  0.190369  0.446206  1
  H  H71  1  0.079093  0.782328  0.455748  1
  H  H72  1  0.079170  0.335499  0.435017  1
  H  H73  1  0.816657  0.883644  0.466446  1
  H  H74  1  0.816500  0.436614  0.445776  1
  H  H75  1  0.579282  0.844634  0.436229  1
  H  H76  1  0.579054  0.291472  0.456985  1
  H  H77  1  0.341593  0.989435  0.425144  1
  H  H78  1  0.341736  0.436912  0.445669  1
  H  H79  1  0.079080  1.022910  0.454720  1
  H  H80  1  0.079067  0.576110  0.433964  1
  H  H81  1  0.841656  0.530567  0.508564  1
  H  H82  1  0.841669  1.083433  0.487908  1
  H  H83  1  0.579134  0.497422  0.478870  1
  H  H84  1  0.579129  0.944151  0.499650  1
  H  H85  1  0.316607  0.636611  0.467153  1
  H  H86  1  0.316534  1.083657  0.487847  1
  H  H87  1  0.079196  0.675608  0.497398  1
  H  H88  1  0.079106  0.228840  0.476624  1
  H  H89  1  0.816607  0.776997  0.508085  1
  H  H90  1  0.816534  0.329950  0.487392  1
  H  H91  1  0.579196  0.737999  0.477841  1
  H  H92  1  0.579106  0.184767  0.498615  1
  H  H93  1  0.341656  0.883041  0.466675  1
  H  H94  1  0.341669  0.330174  0.487330  1
  H  H95  1  0.079134  0.916185  0.496369  1
  H  H96  1  0.079129  0.469457  0.475588  1
  H  H97  1  0.841593  0.424173  0.550095  1
  H  H98  1  0.841736  0.976696  0.529570  1
  H  H99  1  0.579080  0.390698  0.520518  1
  H  H100  1  0.579067  0.837497  0.541274  1
  H  H101  1  0.316657  0.529963  0.508792  1
  H  H102  1  0.316500  0.976993  0.529463  1
  H  H103  1  0.079282  0.568973  0.539009  1
  H  H104  1  0.079054  1.122136  0.518254  1
  H  H105  1  0.816538  0.670626  0.549651  1
  H  H106  1  0.816560  0.223238  0.529032  1
  H  H107  1  0.579093  0.631280  0.519490  1
  H  H108  1  0.579170  1.078108  0.540221  1
  H  H109  1  0.341707  0.776373  0.508299  1
  H  H110  1  0.341676  0.223491  0.528934  1
  H  H111  1  0.079202  0.809596  0.537990  1
  H  H112  1  0.079163  0.362764  0.517207  1
  H  H113  1  0.841388  0.318222  0.591500  1
  H  H114  1  0.841760  0.869875  0.571310  1
  H  H115  1  0.579036  0.283900  0.562202  1
  H  H116  1  0.578782  0.730752  0.582881  1
  H  H117  1  0.316698  0.423051  0.550484  1
  H  H118  1  0.316586  0.870420  0.571085  1
  H  H119  1  0.079305  0.462553  0.580570  1
  H  H120  1  0.079085  1.015380  0.559923  1
  H  H121  1  0.816429  0.564732  0.591097  1
  H  H122  1  0.816747  1.116604  0.570704  1
  H  H123  1  0.578961  0.524449  0.561177  1
  H  H124  1  0.579396  0.971781  0.581781  1
  H  H125  1  0.341646  0.669514  0.550016  1
  H  H126  1  0.341678  1.117155  0.570488  1
  H  H127  1  0.079177  0.703221  0.579552  1
  H  H128  1  0.079271  0.256097  0.558849  1
  H  H129  1  0.842136  0.212699  0.632636  1
  H  H130  1  0.841441  0.762810  0.613134  1
  H  H131  1  0.579240  0.177040  0.603950  1
  H  H132  1  0.578235  0.624026  0.624508  1
  H  H133  1  0.317094  0.316123  0.592288  1
  H  H134  1  0.316286  0.763216  0.612682  1
  H  H135  1  0.079820  0.356504  0.621964  1
  H  H136  1  0.079268  0.908395  0.601669  1
  H  H137  1  0.816402  0.459603  0.632232  1
  H  H138  1  0.817514  1.010116  0.612396  1
  H  H139  1  0.578643  0.417573  0.602929  1
  H  H140  1  0.579574  0.865570  0.623096  1
  H  H141  1  0.341543  0.562101  0.591807  1
  H  H142  1  0.341887  1.011153  0.611878  1
  H  H143  1  0.079440  0.597573  0.621005  1
  H  H144  1  0.079671  1.149425  0.600534  1
  H  H145  1  0.847098  1.109781  0.673665  1
  H  H146  1  0.841146  0.656077  0.655093  1
  H  H147  1  0.579962  1.070456  0.645801  1
  H  H148  1  0.579267  0.519706  0.666273  1
  H  H149  1  0.317489  0.208850  0.634102  1
  H  H150  1  0.315373  0.658463  0.654452  1
  H  H151  1  0.080895  0.252021  0.663322  1
  H  H152  1  0.077265  0.801926  0.643537  1
  H  H153  1  0.817218  0.354203  0.672934  1
  H  H154  1  0.814802  0.904418  0.653834  1
  H  H155  1  0.579307  0.310855  0.644672  1
  H  H156  1  0.577387  0.759339  0.664280  1
  H  H157  1  0.342197  0.455429  0.633917  1
  H  H158  1  0.340727  0.903228  0.652703  1
  H  H159  1  0.079481  0.491025  0.662062  1
  H  H160  1  0.080554  1.042768  0.642189  1
  H  H161  1  0.822637  1.021498  0.715944  1
  H  H162  1  0.840088  0.547920  0.697556  1
  H  H163  1  0.580799  0.961092  0.687787  1
  H  H164  1  0.574681  0.416131  0.708154  1
  H  H165  1  0.318666  1.097410  0.676199  1
  H  H166  1  0.318260  0.554754  0.696166  1
  H  H167  1  0.091073  1.152058  0.705676  1
  H  H168  1  0.079309  0.694153  0.685619  1
  H  H169  1  0.825022  0.269862  0.716013  1
  H  H170  1  0.818247  0.800566  0.695926  1
  H  H171  1  0.584101  0.202343  0.687280  1
  H  H172  1  0.576286  0.668361  0.707422  1
  H  H173  1  0.344330  0.344167  0.676098  1
  H  H174  1  0.335418  0.815763  0.696033  1
  H  H175  1  0.085313  0.395256  0.704570  1
  H  H176  1  0.070384  0.937927  0.684395  1
