# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.51549604
_cell_length_b   11.11215246
_cell_length_c   49.22325434
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.05177088
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   6264.79088939
_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  0.945516  0.544845  0.286541  1
  H  H2  1  0.278849  0.211511  0.286541  1
  H  H3  1  0.248772  0.512278  0.308763  1
  H  H4  1  0.612182  0.878178  0.286541  1
  H  H5  1  0.582106  0.178944  0.308763  1
  H  H6  1  0.552029  0.479711  0.330985  1
  H  H7  1  0.915439  0.845611  0.308763  1
  H  H8  1  0.885363  0.146377  0.330985  1
  H  H9  1  0.218696  0.813044  0.330985  1
  H  H10  1  0.969236  0.307643  0.269015  1
  H  H11  1  0.302569  0.974310  0.269015  1
  H  H12  1  0.272493  0.275076  0.291237  1
  H  H13  1  0.635903  0.640977  0.269015  1
  H  H14  1  0.605826  0.941743  0.291237  1
  H  H15  1  0.575749  0.242509  0.313460  1
  H  H16  1  0.939159  0.608409  0.291237  1
  H  H17  1  0.909083  0.909176  0.313460  1
  H  H18  1  0.242416  0.575842  0.313460  1
  H  H19  1  0.067068  0.329327  0.319874  1
  H  H20  1  0.400401  0.995994  0.319874  1
  H  H21  1  0.460554  0.394462  0.275430  1
  H  H22  1  0.733734  0.662661  0.319874  1
  H  H23  1  0.793887  0.061128  0.275430  1
  H  H24  1  0.763811  0.361895  0.297652  1
  H  H25  1  0.127221  0.727795  0.275430  1
  H  H26  1  0.097144  0.028561  0.297652  1
  H  H27  1  0.430477  0.695228  0.297652  1
  H  H28  1  0.060711  0.392892  0.324571  1
  H  H29  1  0.394044  0.059559  0.324571  1
  H  H30  1  0.454198  0.458026  0.280126  1
  H  H31  1  0.727378  0.726225  0.324571  1
  H  H32  1  0.787531  0.124693  0.280126  1
  H  H33  1  0.757454  0.425459  0.302348  1
  H  H34  1  0.120864  0.791360  0.280126  1
  H  H35  1  0.090788  0.092126  0.302348  1
  H  H36  1  0.424121  0.758792  0.302348  1
  H  H37  1  0.855286  0.447143  0.353208  1
  H  H38  1  0.188619  0.113810  0.353208  1
  H  H39  1  0.158543  0.414576  0.375430  1
  H  H40  1  0.521953  0.780477  0.353208  1
  H  H41  1  0.491876  0.081243  0.375430  1
  H  H42  1  0.461799  0.382009  0.397652  1
  H  H43  1  0.825209  0.747910  0.375430  1
  H  H44  1  0.795133  0.048676  0.397652  1
  H  H45  1  0.128466  0.715342  0.397652  1
  H  H46  1  0.879006  0.209942  0.335682  1
  H  H47  1  0.212339  0.876608  0.335682  1
  H  H48  1  0.182263  0.177375  0.357904  1
  H  H49  1  0.545673  0.543275  0.335682  1
  H  H50  1  0.515596  0.844041  0.357904  1
  H  H51  1  0.485519  0.144807  0.380126  1
  H  H52  1  0.848929  0.510708  0.357904  1
  H  H53  1  0.818853  0.811474  0.380126  1
  H  H54  1  0.152186  0.478141  0.380126  1
  H  H55  1  0.976838  0.231626  0.386541  1
  H  H56  1  0.310171  0.898293  0.386541  1
  H  H57  1  0.370324  0.296760  0.342096  1
  H  H58  1  0.643504  0.564959  0.386541  1
  H  H59  1  0.703658  0.963427  0.342096  1
  H  H60  1  0.673581  0.264193  0.364319  1
  H  H61  1  0.036991  0.630094  0.342096  1
  H  H62  1  0.006914  0.930860  0.364319  1
  H  H63  1  0.340248  0.597526  0.364319  1
  H  H64  1  0.970481  0.295191  0.391237  1
  H  H65  1  0.303815  0.961857  0.391237  1
  H  H66  1  0.363968  0.360325  0.346793  1
  H  H67  1  0.637148  0.628524  0.391237  1
  H  H68  1  0.697301  0.026991  0.346793  1
  H  H69  1  0.667224  0.327758  0.369015  1
  H  H70  1  0.030634  0.693658  0.346793  1
  H  H71  1  0.000558  0.994424  0.369015  1
  H  H72  1  0.333891  0.661091  0.369015  1
  H  H73  1  0.765056  0.349442  0.419874  1
  H  H74  1  0.098389  0.016109  0.419874  1
  H  H75  1  0.068313  0.316875  0.442096  1
  H  H76  1  0.431723  0.682775  0.419874  1
  H  H77  1  0.401646  0.983541  0.442096  1
  H  H78  1  0.371569  0.284308  0.464319  1
  H  H79  1  0.734979  0.650208  0.442096  1
  H  H80  1  0.704903  0.950974  0.464319  1
  H  H81  1  0.038236  0.617641  0.464319  1
  H  H82  1  0.788776  0.112240  0.402348  1
  H  H83  1  0.122110  0.778907  0.402348  1
  H  H84  1  0.092033  0.079673  0.424571  1
  H  H85  1  0.455443  0.445574  0.402348  1
  H  H86  1  0.425366  0.746340  0.424571  1
  H  H87  1  0.395290  0.047106  0.446793  1
  H  H88  1  0.758700  0.413006  0.424571  1
  H  H89  1  0.728623  0.713773  0.446793  1
  H  H90  1  0.061956  0.380439  0.446793  1
  H  H91  1  0.886608  0.133925  0.453208  1
  H  H92  1  0.219941  0.800591  0.453208  1
  H  H93  1  0.280094  0.199059  0.408763  1
  H  H94  1  0.553274  0.467258  0.453208  1
  H  H95  1  0.613428  0.865725  0.408763  1
  H  H96  1  0.583351  0.166492  0.430985  1
  H  H97  1  0.946761  0.532392  0.408763  1
  H  H98  1  0.916684  0.833158  0.430985  1
  H  H99  1  0.250018  0.499825  0.430985  1
  H  H100  1  0.880251  0.197489  0.457904  1
  H  H101  1  0.213585  0.864156  0.457904  1
  H  H102  1  0.273738  0.262623  0.413460  1
  H  H103  1  0.546918  0.530822  0.457904  1
  H  H104  1  0.607071  0.929290  0.413460  1
  H  H105  1  0.576995  0.230056  0.435682  1
  H  H106  1  0.940405  0.595957  0.413460  1
  H  H107  1  0.910328  0.896723  0.435682  1
  H  H108  1  0.243661  0.563390  0.435682  1
  H  H109  1  0.674826  0.251740  0.486541  1
  H  H110  1  0.008160  0.918407  0.486541  1
  H  H111  1  0.978083  0.219173  0.508763  1
  H  H112  1  0.341493  0.585074  0.486541  1
  H  H113  1  0.311416  0.885840  0.508763  1
  H  H114  1  0.281340  0.186606  0.530985  1
  H  H115  1  0.644750  0.552507  0.508763  1
  H  H116  1  0.614673  0.853273  0.530985  1
  H  H117  1  0.948006  0.519940  0.530985  1
  H  H118  1  0.698546  0.014539  0.469015  1
  H  H119  1  0.031880  0.681206  0.469015  1
  H  H120  1  0.001803  0.981972  0.491237  1
  H  H121  1  0.365213  0.347872  0.469015  1
  H  H122  1  0.335136  0.648638  0.491237  1
  H  H123  1  0.305060  0.949405  0.513460  1
  H  H124  1  0.668470  0.315305  0.491237  1
  H  H125  1  0.638393  0.616071  0.513460  1
  H  H126  1  0.971726  0.282738  0.513460  1
  H  H127  1  0.796378  0.036223  0.519874  1
  H  H128  1  0.129711  0.702890  0.519874  1
  H  H129  1  0.189865  0.101357  0.475430  1
  H  H130  1  0.463045  0.369556  0.519874  1
  H  H131  1  0.523198  0.768024  0.475430  1
  H  H132  1  0.493121  0.068790  0.497652  1
  H  H133  1  0.856531  0.434691  0.475430  1
  H  H134  1  0.826455  0.735457  0.497652  1
  H  H135  1  0.159788  0.402124  0.497652  1
  H  H136  1  0.790021  0.099788  0.524571  1
  H  H137  1  0.123355  0.766454  0.524571  1
  H  H138  1  0.183508  0.164922  0.480126  1
  H  H139  1  0.456688  0.433121  0.524571  1
  H  H140  1  0.516841  0.831589  0.480126  1
  H  H141  1  0.486765  0.132355  0.502348  1
  H  H142  1  0.850175  0.498255  0.480126  1
  H  H143  1  0.820098  0.799021  0.502348  1
  H  H144  1  0.153431  0.465688  0.502348  1
  H  H145  1  0.584596  0.154039  0.553208  1
  H  H146  1  0.917930  0.820706  0.553208  1
  H  H147  1  0.887853  0.121472  0.575430  1
  H  H148  1  0.251263  0.487372  0.553208  1
  H  H149  1  0.221186  0.788139  0.575430  1
  H  H150  1  0.191110  0.088905  0.597652  1
  H  H151  1  0.554520  0.454805  0.575430  1
  H  H152  1  0.524443  0.755571  0.597652  1
  H  H153  1  0.857776  0.422238  0.597652  1
  H  H154  1  0.608317  0.916837  0.535682  1
  H  H155  1  0.941650  0.583504  0.535682  1
  H  H156  1  0.911573  0.884270  0.557904  1
  H  H157  1  0.274983  0.250171  0.535682  1
  H  H158  1  0.244907  0.550937  0.557904  1
  H  H159  1  0.214830  0.851703  0.580126  1
  H  H160  1  0.578240  0.217604  0.557904  1
  H  H161  1  0.548163  0.518370  0.580126  1
  H  H162  1  0.881497  0.185036  0.580126  1
  H  H163  1  0.706148  0.938522  0.586541  1
  H  H164  1  0.039481  0.605188  0.586541  1
  H  H165  1  0.099635  0.003656  0.542096  1
  H  H166  1  0.372815  0.271855  0.586541  1
  H  H167  1  0.432968  0.670323  0.542096  1
  H  H168  1  0.402891  0.971089  0.564319  1
  H  H169  1  0.766301  0.336989  0.542096  1
  H  H170  1  0.736225  0.637755  0.564319  1
  H  H171  1  0.069558  0.304422  0.564319  1
  H  H172  1  0.699792  0.002086  0.591237  1
  H  H173  1  0.033125  0.668753  0.591237  1
  H  H174  1  0.093278  0.067220  0.546793  1
  H  H175  1  0.366458  0.335420  0.591237  1
  H  H176  1  0.426612  0.733887  0.546793  1
  H  H177  1  0.396535  0.034653  0.569015  1
  H  H178  1  0.759945  0.400554  0.546793  1
  H  H179  1  0.729868  0.701320  0.569015  1
  H  H180  1  0.063202  0.367987  0.569015  1
  H  H181  1  0.494366  0.056338  0.619874  1
  H  H182  1  0.827700  0.723004  0.619874  1
  H  H183  1  0.797623  0.023770  0.642096  1
  H  H184  1  0.161033  0.389671  0.619874  1
  H  H185  1  0.130957  0.690437  0.642096  1
  H  H186  1  0.100880  0.991203  0.664319  1
  H  H187  1  0.464290  0.357104  0.642096  1
  H  H188  1  0.434213  0.657870  0.664319  1
  H  H189  1  0.767547  0.324537  0.664319  1
  H  H190  1  0.518087  0.819136  0.602348  1
  H  H191  1  0.851420  0.485803  0.602348  1
  H  H192  1  0.821343  0.786569  0.624571  1
  H  H193  1  0.184753  0.152469  0.602348  1
  H  H194  1  0.154677  0.453235  0.624571  1
  H  H195  1  0.124600  0.754002  0.646793  1
  H  H196  1  0.488010  0.119902  0.624571  1
  H  H197  1  0.457933  0.420668  0.646793  1
  H  H198  1  0.791267  0.087335  0.646793  1
  H  H199  1  0.615918  0.840820  0.653208  1
  H  H200  1  0.949252  0.507487  0.653208  1
  H  H201  1  0.009405  0.905954  0.608763  1
  H  H202  1  0.282585  0.174154  0.653208  1
  H  H203  1  0.342738  0.572621  0.608763  1
  H  H204  1  0.312662  0.873387  0.630985  1
  H  H205  1  0.676071  0.239288  0.608763  1
  H  H206  1  0.645995  0.540054  0.630985  1
  H  H207  1  0.979328  0.206721  0.630985  1
  H  H208  1  0.609562  0.904385  0.657904  1
  H  H209  1  0.942895  0.571051  0.657904  1
  H  H210  1  0.003048  0.969519  0.613460  1
  H  H211  1  0.276228  0.237718  0.657904  1
  H  H212  1  0.336382  0.636186  0.613460  1
  H  H213  1  0.306305  0.936952  0.635682  1
  H  H214  1  0.669715  0.302852  0.613460  1
  H  H215  1  0.639638  0.603619  0.635682  1
  H  H216  1  0.972972  0.270285  0.635682  1
  H  H217  1  0.404137  0.958636  0.686541  1
  H  H218  1  0.737470  0.625303  0.686541  1
  H  H219  1  0.707393  0.926069  0.708763  1
  H  H220  1  0.070803  0.291969  0.686541  1
  H  H221  1  0.040727  0.592736  0.708763  1
  H  H222  1  0.010650  0.893502  0.730985  1
  H  H223  1  0.374060  0.259402  0.708763  1
  H  H224  1  0.343983  0.560169  0.730985  1
  H  H225  1  0.677317  0.226835  0.730985  1
  H  H226  1  0.427857  0.721435  0.669015  1
  H  H227  1  0.761190  0.388101  0.669015  1
  H  H228  1  0.731114  0.688867  0.691237  1
  H  H229  1  0.094523  0.054768  0.669015  1
  H  H230  1  0.064447  0.355534  0.691237  1
  H  H231  1  0.034370  0.656300  0.713460  1
  H  H232  1  0.397780  0.022201  0.691237  1
  H  H233  1  0.367704  0.322967  0.713460  1
  H  H234  1  0.701037  0.989634  0.713460  1
  H  H235  1  0.525688  0.743119  0.719874  1
  H  H236  1  0.859022  0.409785  0.719874  1
  H  H237  1  0.919175  0.808253  0.675430  1
  H  H238  1  0.192355  0.076452  0.719874  1
  H  H239  1  0.252508  0.474920  0.675430  1
  H  H240  1  0.222432  0.775686  0.697652  1
  H  H241  1  0.585842  0.141586  0.675430  1
  H  H242  1  0.555765  0.442353  0.697652  1
  H  H243  1  0.889098  0.109019  0.697652  1
  H  H244  1  0.519332  0.806683  0.724571  1
  H  H245  1  0.852665  0.473350  0.724571  1
  H  H246  1  0.912818  0.871818  0.680126  1
  H  H247  1  0.185999  0.140017  0.724571  1
  H  H248  1  0.246152  0.538484  0.680126  1
  H  H249  1  0.216075  0.839250  0.702348  1
  H  H250  1  0.579485  0.205151  0.680126  1
  H  H251  1  0.549409  0.505917  0.702348  1
  H  H252  1  0.882742  0.172584  0.702348  1
