# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.67092103
_cell_length_b   5.94554210
_cell_length_c   65.31897148
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.35970251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   5112.61120404
_cell_formula_units_Z   126
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  0.169957  1.036992  0.165873  1
  H  H2  1  0.058129  1.092253  0.138895  1
  H  H3  1  0.891331  1.046044  0.145939  1
  H  H4  1  0.887299  0.702424  0.163536  1
  H  H5  1  0.739334  1.028414  0.159664  1
  H  H6  1  0.784810  0.757912  0.134829  1
  H  H7  1  0.616568  0.733939  0.143513  1
  H  H8  1  0.477228  1.079274  0.141905  1
  H  H9  1  0.596309  0.336577  0.152487  1
  H  H10  1  0.313003  1.022521  0.146739  1
  H  H11  1  0.455314  0.677758  0.149162  1
  H  H12  1  0.336082  0.421556  0.140612  1
  H  H13  1  0.170572  0.364778  0.145544  1
  H  H14  1  0.196628  0.759480  0.139580  1
  H  H15  1  0.030425  0.705268  0.145419  1
  H  H16  1  0.030126  0.371679  0.165140  1
  H  H17  1  0.921541  0.423516  0.137841  1
  H  H18  1  0.753888  0.388555  0.145381  1
  H  H19  1  0.284844  0.975247  0.191545  1
  H  H20  1  0.010749  0.989049  0.171886  1
  H  H21  1  0.860430  0.987960  0.186437  1
  H  H22  1  0.004648  0.654896  0.189072  1
  H  H23  1  0.706349  0.946831  0.194972  1
  H  H24  1  0.729718  0.665750  0.170708  1
  H  H25  1  0.572832  0.622639  0.177287  1
  H  H26  1  0.585496  1.000073  0.169556  1
  H  H27  1  0.564779  0.281109  0.193207  1
  H  H28  1  0.428855  0.960243  0.174699  1
  H  H29  1  0.425018  0.627630  0.192272  1
  H  H30  1  0.445876  0.349675  0.168109  1
  H  H31  1  0.288604  0.303249  0.172934  1
  H  H32  1  0.308201  0.697082  0.166807  1
  H  H33  1  0.149769  0.646543  0.172046  1
  H  H34  1  0.145651  0.317019  0.190547  1
  H  H35  1  0.870738  0.330312  0.171727  1
  H  H36  1  0.715682  0.310347  0.182445  1
  H  H37  1  0.247791  0.866756  0.223845  1
  H  H38  1  0.128530  0.928885  0.197870  1
  H  H39  1  0.980594  0.934239  0.212960  1
  H  H40  1  0.967743  0.558268  0.222498  1
  H  H41  1  0.826209  0.896486  0.221063  1
  H  H42  1  0.848089  0.613269  0.196835  1
  H  H43  1  0.693422  0.585367  0.206109  1
  H  H44  1  0.550530  0.901902  0.202379  1
  H  H45  1  0.684333  0.226771  0.219066  1
  H  H46  1  0.403029  0.903942  0.216820  1
  H  H47  1  0.543901  0.558336  0.217486  1
  H  H48  1  0.408858  0.238271  0.200157  1
  H  H49  1  0.263154  0.254380  0.216107  1
  H  H50  1  0.268917  0.583169  0.198557  1
  H  H51  1  0.123253  0.596867  0.214809  1
  H  H52  1  0.107921  0.213295  0.223185  1
  H  H53  1  0.988525  0.273112  0.197612  1
  H  H54  1  0.836591  0.265035  0.210103  1
  H  H55  1  0.368115  0.801408  0.250120  1
  H  H56  1  0.101101  0.876717  0.239178  1
  H  H57  1  0.946115  0.842016  0.247062  1
  H  H58  1  0.088060  0.497641  0.247986  1
  H  H59  1  0.793398  0.820410  0.257450  1
  H  H60  1  0.815545  0.542215  0.233834  1
  H  H61  1  0.664213  0.505703  0.243272  1
  H  H62  1  0.672723  0.861365  0.229952  1
  H  H63  1  0.651313  1.139535  0.254054  1
  H  H64  1  0.523098  0.837636  0.241851  1
  H  H65  1  0.510228  0.464725  0.251624  1
  H  H66  1  0.529978  0.183628  0.226913  1
  H  H67  1  0.382108  0.183513  0.241359  1
  H  H68  1  0.388829  0.520595  0.225106  1
  H  H69  1  0.242402  0.536745  0.240596  1
  H  H70  1  0.228126  1.147800  0.248796  1
  H  H71  1  0.958445  0.213466  0.236865  1
  H  H72  1  0.804636  0.177339  0.245341  1
  H  H73  1  0.339707  0.736793  0.290497  1
  H  H74  1  0.220786  0.819350  0.265750  1
  H  H75  1  0.067606  0.782113  0.272626  1
  H  H76  1  0.063526  0.437169  0.286995  1
  H  H77  1  0.915554  0.775099  0.283894  1
  H  H78  1  0.938252  0.492580  0.260669  1
  H  H79  1  0.785946  0.458161  0.269492  1
  H  H80  1  0.642834  0.784472  0.267440  1
  H  H81  1  0.773599  1.101122  0.281027  1
  H  H82  1  0.488493  0.746701  0.276451  1
  H  H83  1  0.632256  0.420941  0.278317  1
  H  H84  1  0.501556  1.116883  0.266257  1
  H  H85  1  0.346471  1.082062  0.275190  1
  H  H86  1  0.362747  0.461386  0.265917  1
  H  H87  1  0.210074  0.430266  0.273071  1
  H  H88  1  0.197572  1.108370  0.291226  1
  H  H89  1  0.080761  1.156741  0.263348  1
  H  H90  1  0.926243  1.126178  0.271279  1
  H  H91  1  0.458972  0.682688  0.315142  1
  H  H92  1  0.187658  0.693073  0.299130  1
  H  H93  1  0.035438  0.719936  0.309823  1
  H  H94  1  0.045490  0.350152  0.321330  1
  H  H95  1  0.887498  0.691449  0.319215  1
  H  H96  1  0.911343  0.408106  0.295707  1
  H  H97  1  0.758763  0.383325  0.304993  1
  H  H98  1  0.764574  0.740225  0.293315  1
  H  H99  1  0.747696  1.025667  0.316641  1
  H  H100  1  0.610665  0.703943  0.302512  1
  H  H101  1  0.610531  0.350518  0.315263  1
  H  H102  1  0.622655  1.067238  0.291162  1
  H  H103  1  0.467425  1.031687  0.300930  1
  H  H104  1  0.481569  0.398279  0.290633  1
  H  H105  1  0.321133  0.364484  0.300808  1
  H  H106  1  0.315857  1.013207  0.314752  1
  H  H107  1  0.045510  1.064823  0.297111  1
  H  H108  1  0.894865  1.057929  0.307806  1
  H  H109  1  0.431086  0.579090  0.350168  1
  H  H110  1  0.298854  0.662589  0.326173  1
  H  H111  1  0.137491  0.626407  0.337138  1
  H  H112  1  0.175493  0.252785  0.344731  1
  H  H113  1  0.970376  0.613183  0.349463  1
  H  H114  1  0.885370  0.335798  0.332221  1
  H  H115  1  0.729840  0.300957  0.342334  1
  H  H116  1  0.737284  0.660178  0.328999  1
  H  H117  1  0.825225  0.922000  0.346464  1
  H  H118  1  0.585685  0.623685  0.339585  1
  H  H119  1  0.573771  0.258052  0.352579  1
  H  H120  1  0.602096  0.988802  0.325755  1
  H  H121  1  0.458993  0.970213  0.337270  1
  H  H122  1  0.461205  0.319405  0.324506  1
  H  H123  1  0.316718  0.299474  0.335808  1
  H  H124  1  0.317108  0.937294  0.349089  1
  H  H125  1  0.154813  0.975936  0.323853  1
  H  H126  1  0.991381  0.961798  0.336077  1
  H  H127  1  0.491079  0.478585  0.382975  1
  H  H128  1  0.271938  0.542205  0.361446  1
  H  H129  1  0.113402  0.493255  0.371342  1
  H  H130  1  0.101913  1.137657  0.387165  1
  H  H131  1  0.954753  0.442746  0.382260  1
  H  H132  1  0.028297  0.231029  0.355409  1
  H  H133  1  0.879346  0.182718  0.364830  1
  H  H134  1  0.808251  0.571058  0.360917  1
  H  H135  1  0.871380  0.829498  0.380130  1
  H  H136  1  0.648832  0.522297  0.371824  1
  H  H137  1  0.726799  1.133683  0.374581  1
  H  H138  1  0.662690  0.876218  0.357114  1
  H  H139  1  0.502920  0.830642  0.368279  1
  H  H140  1  0.416899  0.224043  0.364872  1
  H  H141  1  0.258722  0.183178  0.376092  1
  H  H142  1  0.344402  0.782091  0.379659  1
  H  H143  1  0.168915  0.906710  0.358818  1
  H  H144  1  0.022566  0.875067  0.370124  1
  H  H145  1  0.484327  0.287036  0.413594  1
  H  H146  1  0.331819  0.433426  0.394317  1
  H  H147  1  0.172940  0.388023  0.404980  1
  H  H148  1  0.255759  0.989358  0.406724  1
  H  H149  1  0.014518  0.339012  0.415730  1
  H  H150  1  0.943906  1.088761  0.397963  1
  H  H151  1  0.786573  1.038153  0.408349  1
  H  H152  1  0.797861  0.388657  0.392554  1
  H  H153  1  0.868482  0.637297  0.410508  1
  H  H154  1  0.641560  0.337311  0.403003  1
  H  H155  1  0.629216  0.988775  0.418919  1
  H  H156  1  0.716448  0.781765  0.390389  1
  H  H157  1  0.559847  0.734998  0.401185  1
  H  H158  1  0.571538  1.087291  0.385038  1
  H  H159  1  0.414259  1.038139  0.395968  1
  H  H160  1  0.402198  0.686939  0.412244  1
  H  H161  1  0.184522  0.737525  0.389873  1
  H  H162  1  0.026648  0.686190  0.400242  1
  H  H163  1  0.540625  0.189893  0.447468  1
  H  H164  1  0.326042  0.236721  0.424290  1
  H  H165  1  0.167297  0.187107  0.434808  1
  H  H166  1  0.154250  0.840809  0.451099  1
  H  H167  1  0.008728  1.137026  0.445421  1
  H  H168  1  0.096972  0.938474  0.417373  1
  H  H169  1  0.938675  0.887710  0.427933  1
  H  H170  1  0.856369  0.289563  0.426272  1
  H  H171  1  0.926174  0.540288  0.444096  1
  H  H172  1  0.698589  0.239585  0.436843  1
  H  H173  1  0.780727  0.837825  0.438381  1
  H  H174  1  0.711149  0.587294  0.420833  1
  H  H175  1  0.553686  0.536703  0.431293  1
  H  H176  1  0.471233  0.939691  0.429720  1
  H  H177  1  0.312760  0.890200  0.440461  1
  H  H178  1  0.395488  0.485959  0.441843  1
  H  H179  1  0.243373  0.639270  0.422876  1
  H  H180  1  0.084758  0.589800  0.433529  1
  H  H181  1  0.534091  0.986600  0.477051  1
  H  H182  1  0.382244  1.140092  0.458147  1
  H  H183  1  0.223692  1.090645  0.468743  1
  H  H184  1  0.306407  0.686329  0.470002  1
  H  H185  1  0.065196  1.040865  0.479348  1
  H  H186  1  0.995744  0.790872  0.461733  1
  H  H187  1  0.837374  0.740880  0.472301  1
  H  H188  1  0.850455  1.087028  0.455985  1
  H  H189  1  0.919970  0.336624  0.473617  1
  H  H190  1  0.692284  1.036733  0.466530  1
  H  H191  1  0.679163  0.690472  0.482869  1
  H  H192  1  0.767919  0.490539  0.454636  1
  H  H193  1  0.609840  0.440584  0.465188  1
  H  H194  1  0.622878  0.787293  0.448843  1
  H  H195  1  0.464761  0.736542  0.459396  1
  H  H196  1  0.451552  0.390595  0.475777  1
  H  H197  1  0.237012  0.436121  0.452410  1
  H  H198  1  0.078472  0.386335  0.463029  1
  H  H199  1  0.590136  0.889974  0.510892  1
  H  H200  1  0.375857  0.936217  0.487649  1
  H  H201  1  0.217391  0.886872  0.498217  1
  H  H202  1  0.204015  0.539848  0.514388  1
  H  H203  1  0.059041  0.837157  0.508830  1
  H  H204  1  0.147919  0.636496  0.480565  1
  H  H205  1  0.989474  0.586735  0.491255  1
  H  H206  1  0.906790  0.990532  0.490023  1
  H  H207  1  0.976277  0.240571  0.507544  1
  H  H208  1  0.748614  0.939722  0.500543  1
  H  H209  1  0.831001  0.537298  0.501855  1
  H  H210  1  0.761666  0.286540  0.484194  1
  H  H211  1  0.603481  0.237022  0.494726  1
  H  H212  1  0.520897  0.640146  0.493487  1
  H  H213  1  0.362586  0.589714  0.504016  1
  H  H214  1  0.445196  0.187127  0.505313  1
  H  H215  1  0.293145  0.340269  0.486373  1
  H  H216  1  0.134608  0.290414  0.497028  1
  H  H217  1  0.584701  0.690115  0.540565  1
  H  H218  1  0.431711  0.839860  0.521488  1
  H  H219  1  0.272729  0.789811  0.531892  1
  H  H220  1  0.356274  0.387058  0.533761  1
  H  H221  1  0.114810  0.739602  0.542386  1
  H  H222  1  0.045204  0.490353  0.525128  1
  H  H223  1  0.886598  0.440160  0.535459  1
  H  H224  1  0.900628  0.787042  0.519649  1
  H  H225  1  0.970475  1.037735  0.537078  1
  H  H226  1  0.742191  0.737795  0.530368  1
  H  H227  1  0.728650  0.386751  0.546482  1
  H  H228  1  0.817635  0.189815  0.518068  1
  H  H229  1  0.658983  1.139721  0.528424  1
  H  H230  1  0.673199  0.487010  0.512518  1
  H  H231  1  0.514760  0.437652  0.523104  1
  H  H232  1  0.500805  1.089689  0.538907  1
  H  H233  1  0.287236  1.136670  0.515951  1
  H  H234  1  0.128674  1.087836  0.526617  1
  H  H235  1  0.642435  0.588227  0.574638  1
  H  H236  1  0.426150  0.639886  0.551361  1
  H  H237  1  0.268585  0.597782  0.562440  1
  H  H238  1  0.257830  0.234944  0.578104  1
  H  H239  1  0.110032  0.538918  0.572598  1
  H  H240  1  0.198848  0.339067  0.544020  1
  H  H241  1  0.039454  0.289708  0.554880  1
  H  H242  1  0.956498  0.688320  0.553756  1
  H  H243  1  0.026386  0.943729  0.571455  1
  H  H244  1  0.800809  0.646385  0.564583  1
  H  H245  1  0.879771  0.245579  0.565968  1
  H  H246  1  0.812313  0.990437  0.548064  1
  H  H247  1  0.654013  0.948316  0.559025  1
  H  H248  1  0.570420  0.339578  0.557179  1
  H  H249  1  0.414959  0.295019  0.567905  1
  H  H250  1  0.493281  0.892415  0.569324  1
  H  H251  1  0.342539  1.035731  0.549858  1
  H  H252  1  0.183539  0.989222  0.560744  1
