# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18802062
_cell_length_b   13.84810022
_cell_length_c   38.06243863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.21856873
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   5366.00364897
_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  0.787615  0.086464  0.413583  1
  H  H2  1  0.238463  0.933705  0.402901  1
  H  H3  1  0.392256  0.060740  0.423279  1
  H  H4  1  0.227116  0.605055  0.398634  1
  H  H5  1  0.375417  0.736185  0.419325  1
  H  H6  1  0.450121  0.896938  0.421853  1
  H  H7  1  0.776207  0.757643  0.409692  1
  H  H8  1  0.845339  0.921506  0.412742  1
  H  H9  1  0.181711  0.097144  0.404260  1
  H  H10  1  0.754433  0.427351  0.404776  1
  H  H11  1  0.829741  0.592237  0.408244  1
  H  H12  1  0.163677  0.770505  0.399834  1
  H  H13  1  -0.104414  0.236698  0.420677  1
  H  H14  1  -0.034388  0.396598  0.424025  1
  H  H15  1  0.286447  0.251187  0.410773  1
  H  H16  1  0.353083  0.415899  0.413606  1
  H  H17  1  0.440673  0.573029  0.417778  1
  H  H18  1  0.682135  0.260854  0.401783  1
  H  H19  1  0.599716  1.026355  0.443302  1
  H  H20  1  0.048044  0.881597  0.433587  1
  H  H21  1  0.200424  1.005253  0.456588  1
  H  H22  1  0.037272  0.555593  0.428648  1
  H  H23  1  0.184349  0.681308  0.452134  1
  H  H24  1  0.254115  0.841943  0.454028  1
  H  H25  1  0.585095  0.701001  0.439116  1
  H  H26  1  0.653683  0.864259  0.443362  1
  H  H27  1  -0.003912  0.045791  0.434803  1
  H  H28  1  0.559211  0.375383  0.434413  1
  H  H29  1  0.640110  0.536662  0.439109  1
  H  H30  1  -0.020477  0.717752  0.430626  1
  H  H31  1  0.690424  0.180470  0.454429  1
  H  H32  1  0.766811  0.338341  0.456089  1
  H  H33  1  0.092548  0.203478  0.442760  1
  H  H34  1  0.166059  0.361592  0.445189  1
  H  H35  1  0.241489  0.519511  0.450344  1
  H  H36  1  0.489914  0.212245  0.431206  1
  H  H37  1  0.405003  0.967677  0.475335  1
  H  H38  1  0.856755  0.825388  0.464389  1
  H  H39  1  0.006394  0.950421  0.486583  1
  H  H40  1  0.843389  0.498673  0.459729  1
  H  H41  1  -0.010016  0.625510  0.481939  1
  H  H42  1  0.060514  0.786827  0.484411  1
  H  H43  1  0.389658  0.643942  0.471012  1
  H  H44  1  0.459049  0.804688  0.473807  1
  H  H45  1  0.803834  0.990297  0.466390  1
  H  H46  1  0.367034  0.319295  0.465619  1
  H  H47  1  0.443578  0.479437  0.469538  1
  H  H48  1  0.787623  0.663025  0.461907  1
  H  H49  1  0.491356  0.122908  0.482217  1
  H  H50  1  0.569555  0.283885  0.486244  1
  H  H51  1  -0.107593  0.146383  0.472368  1
  H  H52  1  -0.029749  0.305086  0.476601  1
  H  H53  1  0.046442  0.463543  0.480237  1
  H  H54  1  0.290596  0.159872  0.462321  1
  H  H55  1  0.209279  0.911059  0.506808  1
  H  H56  1  0.662558  0.768356  0.494159  1
  H  H57  1  0.810509  0.894151  0.516875  1
  H  H58  1  0.647285  0.442921  0.489641  1
  H  H59  1  0.794311  0.569161  0.512198  1
  H  H60  1  0.866474  0.730847  0.515085  1
  H  H61  1  0.193162  0.588170  0.502567  1
  H  H62  1  0.265583  0.748735  0.504838  1
  H  H63  1  0.607650  0.932035  0.495983  1
  H  H64  1  0.173486  0.265871  0.496631  1
  H  H65  1  0.249397  0.424419  0.500259  1
  H  H66  1  0.591610  0.606939  0.491363  1
  H  H67  1  0.293870  0.067839  0.512212  1
  H  H68  1  0.375492  0.226861  0.516697  1
  H  H69  1  0.692963  0.087464  0.502926  1
  H  H70  1  0.774539  0.247435  0.507358  1
  H  H71  1  0.850726  0.406910  0.510620  1
  H  H72  1  0.092184  0.107152  0.492152  1
  H  H73  1  0.013731  0.855894  0.537218  1
  H  H74  1  0.468965  0.711409  0.524991  1
  H  H75  1  0.615725  0.837325  0.547038  1
  H  H76  1  0.451870  0.386834  0.520421  1
  H  H77  1  0.599605  0.513083  0.542440  1
  H  H78  1  0.672188  0.674337  0.545406  1
  H  H79  1  -0.002489  0.532236  0.532778  1
  H  H80  1  0.070546  0.693315  0.535472  1
  H  H81  1  0.412796  0.874498  0.526587  1
  H  H82  1  -0.021928  0.210214  0.527154  1
  H  H83  1  0.054718  0.369536  0.530936  1
  H  H84  1  0.396611  0.550304  0.522048  1
  H  H85  1  0.097257  1.013596  0.542337  1
  H  H86  1  0.180416  0.171645  0.547230  1
  H  H87  1  0.495810  1.031658  0.532427  1
  H  H88  1  0.578478  0.190771  0.537069  1
  H  H89  1  0.655525  0.350566  0.540983  1
  H  H90  1  -0.104589  0.051845  0.522334  1
  H  H91  1  0.818803  0.800049  0.567792  1
  H  H92  1  0.274584  0.655303  0.555876  1
  H  H93  1  0.421024  0.780889  0.577821  1
  H  H94  1  0.258045  0.331108  0.551212  1
  H  H95  1  0.405012  0.456774  0.573250  1
  H  H96  1  0.477776  0.617789  0.576101  1
  H  H97  1  0.802539  0.476068  0.563266  1
  H  H98  1  -0.124445  0.637081  0.566058  1
  H  H99  1  0.217419  0.818046  0.557622  1
  H  H100  1  0.781709  0.153642  0.557652  1
  H  H101  1  0.859616  0.313337  0.561562  1
  H  H102  1  0.201460  0.494197  0.553000  1
  H  H103  1  -0.099172  0.958366  0.572603  1
  H  H104  1  -0.015384  0.116296  0.577711  1
  H  H105  1  0.299568  0.975972  0.562540  1
  H  H106  1  0.382837  0.134394  0.567512  1
  H  H107  1  0.461242  0.293739  0.571547  1
  H  H108  1  0.698274  0.994994  0.552684  1
  H  H109  1  0.624207  0.743664  0.598261  1
  H  H110  1  0.079453  0.599404  0.586414  1
  H  H111  1  0.225827  0.724569  0.608578  1
  H  H112  1  0.063339  0.275493  0.581817  1
  H  H113  1  0.209860  0.400603  0.603951  1
  H  H114  1  0.282994  0.561556  0.606774  1
  H  H115  1  0.607940  0.419732  0.593750  1
  H  H116  1  0.680691  0.580796  0.596626  1
  H  H117  1  0.022196  0.762268  0.588247  1
  H  H118  1  0.585589  0.097725  0.587733  1
  H  H119  1  0.664544  0.256881  0.592087  1
  H  H120  1  0.006144  0.438441  0.583662  1
  H  H121  1  0.704388  0.902344  0.602957  1
  H  H122  1  0.788245  0.060520  0.608073  1
  H  H123  1  0.103137  0.920762  0.592766  1
  H  H124  1  0.187068  0.078589  0.597898  1
  H  H125  1  0.266630  0.237616  0.602202  1
  H  H126  1  0.502040  0.939118  0.582722  1
  H  H127  1  0.429480  0.687105  0.628925  1
  H  H128  1  -0.115836  0.543382  0.617061  1
  H  H129  1  0.030685  0.668493  0.639194  1
  H  H130  1  0.868197  0.219416  0.612434  1
  H  H131  1  0.014571  0.344581  0.634598  1
  H  H132  1  0.087880  0.505545  0.637349  1
  H  H133  1  0.413333  0.363190  0.624385  1
  H  H134  1  0.486084  0.524254  0.627262  1
  H  H135  1  0.827394  0.706370  0.618809  1
  H  H136  1  0.389636  1.041641  0.618055  1
  H  H137  1  0.469817  0.200322  0.622750  1
  H  H138  1  0.811030  0.382430  0.614237  1
  H  H139  1  0.508435  0.846261  0.633279  1
  H  H140  1  0.591984  1.004868  0.638289  1
  H  H141  1  -0.093044  0.865397  0.623113  1
  H  H142  1  -0.009113  1.023224  0.628246  1
  H  H143  1  0.071828  0.181718  0.632765  1
  H  H144  1  0.305779  0.883465  0.612938  1
  H  H145  1  0.234408  0.630648  0.659450  1
  H  H146  1  0.689012  0.487211  0.647761  1
  H  H147  1  0.835979  0.612878  0.669800  1
  H  H148  1  0.673000  0.163097  0.643190  1
  H  H149  1  0.819440  0.288683  0.665135  1
  H  H150  1  -0.107436  0.449789  0.668012  1
  H  H151  1  0.218470  0.306904  0.654954  1
  H  H152  1  0.291485  0.467918  0.657746  1
  H  H153  1  0.632782  0.650247  0.649464  1
  H  H154  1  0.193196  0.985619  0.648409  1
  H  H155  1  0.275221  0.143937  0.653220  1
  H  H156  1  0.616248  0.326197  0.644910  1
  H  H157  1  0.312315  0.790343  0.663360  1
  H  H158  1  0.395750  0.948992  0.668327  1
  H  H159  1  0.711187  0.809592  0.653500  1
  H  H160  1  0.794456  0.968014  0.658471  1
  H  H161  1  -0.123395  0.125939  0.663390  1
  H  H162  1  0.109408  0.827689  0.643301  1
  H  H163  1  0.039306  0.574449  0.690075  1
  H  H164  1  0.494419  0.430902  0.678571  1
  H  H165  1  0.642154  0.557152  0.700590  1
  H  H166  1  0.478299  0.106661  0.673974  1
  H  H167  1  0.625059  0.232577  0.696021  1
  H  H168  1  0.697413  0.393682  0.698964  1
  H  H169  1  0.023478  0.250670  0.685540  1
  H  H170  1  0.096513  0.411750  0.688233  1
  H  H171  1  0.438499  0.593419  0.680029  1
  H  H172  1  -0.003233  0.930390  0.678674  1
  H  H173  1  0.080293  0.088092  0.683793  1
  H  H174  1  0.421836  0.269649  0.675606  1
  H  H175  1  0.115952  0.733771  0.693858  1
  H  H176  1  0.198613  0.892141  0.698677  1
  H  H177  1  0.515546  0.753215  0.683942  1
  H  H178  1  0.598214  0.912328  0.688585  1
  H  H179  1  0.681228  0.069487  0.694425  1
  H  H180  1  -0.086392  0.772341  0.673782  1
  H  H181  1  0.844627  0.519567  0.720753  1
  H  H182  1  0.299713  0.374825  0.708813  1
  H  H183  1  0.446739  0.501065  0.731370  1
  H  H184  1  0.283515  0.049834  0.704136  1
  H  H185  1  0.431466  0.175629  0.726852  1
  H  H186  1  0.502414  0.337047  0.729649  1
  H  H187  1  0.828441  0.195250  0.716173  1
  H  H188  1  -0.099138  0.355816  0.718444  1
  H  H189  1  0.243298  0.537076  0.710392  1
  H  H190  1  0.800154  0.876147  0.708799  1
  H  H191  1  -0.115255  1.032927  0.714204  1
  H  H192  1  0.227550  0.213139  0.705927  1
  H  H193  1  -0.079462  0.678114  0.724380  1
  H  H194  1  0.001840  0.836833  0.728860  1
  H  H195  1  0.319485  0.696551  0.713654  1
  H  H196  1  0.401061  0.856522  0.718086  1
  H  H197  1  0.486374  1.011951  0.725029  1
  H  H198  1  0.718532  0.717125  0.704315  1
  H  H199  1  0.650447  0.464549  0.751474  1
  H  H200  1  0.104040  0.318475  0.739072  1
  H  H201  1  0.250635  0.445313  0.761282  1
  H  H202  1  0.087630  0.993564  0.734429  1
  H  H203  1  0.237269  0.118597  0.756623  1
  H  H204  1  0.306401  0.280961  0.759104  1
  H  H205  1  0.634975  0.139298  0.747204  1
  H  H206  1  0.704366  0.300043  0.750000  1
  H  H207  1  0.047582  0.480442  0.740775  1
  H  H208  1  0.602668  0.821077  0.738795  1
  H  H209  1  0.689021  0.976309  0.745677  1
  H  H210  1  0.033510  0.157159  0.736601  1
  H  H211  1  0.726990  0.624690  0.755393  1
  H  H212  1  0.803428  0.784113  0.758691  1
  H  H213  1  0.123773  0.638900  0.744411  1
  H  H214  1  0.201617  0.797603  0.748644  1
  H  H215  1  0.290190  0.953689  0.754622  1
  H  H216  1  0.524469  0.660101  0.734768  1
  H  H217  1  0.453914  0.407323  0.781903  1
  H  H218  1  -0.090325  0.262678  0.768878  1
  H  H219  1  0.056752  0.388393  0.792364  1
  H  H220  1  -0.106400  0.938733  0.764424  1
  H  H221  1  0.045980  0.062389  0.787425  1
  H  H222  1  0.114501  0.226234  0.790386  1
  H  H223  1  0.440341  0.079727  0.777650  1
  H  H224  1  0.508929  0.242985  0.781895  1
  H  H225  1  0.852535  0.424475  0.770667  1
  H  H226  1  0.403600  0.763516  0.766583  1
  H  H227  1  0.494308  0.917630  0.777709  1
  H  H228  1  0.839909  0.102043  0.766983  1
  H  H229  1  0.534813  0.568603  0.786598  1
  H  H230  1  0.604110  0.731741  0.789806  1
  H  H231  1  -0.072035  0.582394  0.775822  1
  H  H232  1  0.001476  0.740507  0.778251  1
  H  H233  1  0.097936  0.898195  0.786208  1
  H  H234  1  0.327213  0.605645  0.764923  1
  H  H235  1  0.264283  0.351748  0.812767  1
  H  H236  1  0.718607  0.207801  0.801687  1
  H  H237  1  0.866908  0.338931  0.822377  1
  H  H238  1  0.701768  0.883246  0.797733  1
  H  H239  1  0.855561  1.010281  0.818111  1
  H  H240  1  -0.069653  0.173481  0.821177  1
  H  H241  1  0.248685  1.022479  0.808270  1
  H  H242  1  0.317817  0.186343  0.811320  1
  H  H243  1  0.653351  0.370957  0.803234  1
  H  H244  1  0.198438  0.707288  0.800334  1
  H  H245  1  0.306409  0.857522  0.807429  1
  H  H246  1  0.643903  0.047047  0.799159  1
  H  H247  1  0.339591  0.516635  0.816236  1
  H  H248  1  0.411889  0.683132  0.819228  1
  H  H249  1  0.740941  0.528087  0.807406  1
  H  H250  1  0.807577  0.692798  0.810239  1
  H  H251  1  -0.087687  0.846842  0.816751  1
  H  H252  1  0.128412  0.547388  0.796987  1
