# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28125394
_cell_length_b   13.05892680
_cell_length_c   65.15222580
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.33082941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   5145.59928594
_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  0.436284  0.423862  0.155589  1
  H  H2  1  1.072223  0.455833  0.144976  1
  H  H3  1  1.077735  0.095287  0.154231  1
  H  H4  1  1.029353  0.278394  0.147959  1
  H  H5  1  0.701420  0.122655  0.143944  1
  H  H6  1  0.778797  0.229280  0.169847  1
  H  H7  1  0.700659  0.468773  0.135153  1
  H  H8  1  0.804242  0.758814  0.155259  1
  H  H9  1  0.767748  0.939902  0.149927  1
  H  H10  1  0.404500  0.251682  0.158475  1
  H  H11  1  0.443308  0.783453  0.145175  1
  H  H12  1  0.510267  0.891136  0.171740  1
  H  H13  1  0.390493  0.966954  0.139597  1
  H  H14  1  0.406422  0.608280  0.149392  1
  H  H15  1  0.137192  0.916715  0.161176  1
  H  H16  1  0.151807  0.561226  0.171071  1
  H  H17  1  1.073874  0.808193  0.134977  1
  H  H18  1  0.782304  0.586249  0.160218  1
  H  H19  1  0.525859  0.354472  0.187130  1
  H  H20  1  0.159793  0.379547  0.176726  1
  H  H21  1  0.203911  1.021822  0.186669  1
  H  H22  1  0.154132  0.202244  0.180536  1
  H  H23  1  0.827755  1.046862  0.176243  1
  H  H24  1  0.905580  0.150620  0.201555  1
  H  H25  1  0.796026  0.405501  0.167133  1
  H  H26  1  0.886619  0.689421  0.187395  1
  H  H27  1  0.877438  0.867333  0.182088  1
  H  H28  1  0.530177  0.176926  0.191014  1
  H  H29  1  0.521647  0.713753  0.177151  1
  H  H30  1  0.619366  0.817153  0.203074  1
  H  H31  1  0.450755  0.072326  0.165700  1
  H  H32  1  0.521473  0.535374  0.181601  1
  H  H33  1  0.249601  0.842654  0.192697  1
  H  H34  1  0.262143  0.483954  0.202446  1
  H  H35  1  0.158908  0.738877  0.167112  1
  H  H36  1  0.892640  0.510389  0.192168  1
  H  H37  1  0.637510  0.277215  0.217659  1
  H  H38  1  0.266234  0.302929  0.207444  1
  H  H39  1  0.332387  0.945505  0.218021  1
  H  H40  1  0.281106  0.124887  0.211994  1
  H  H41  1  0.957162  0.970524  0.207546  1
  H  H42  1  1.030485  0.073632  0.232944  1
  H  H43  1  0.896667  0.328422  0.197404  1
  H  H44  1  0.995752  0.612044  0.218224  1
  H  H45  1  0.990005  0.791638  0.213199  1
  H  H46  1  0.655930  0.099218  0.222421  1
  H  H47  1  0.625638  0.637359  0.207959  1
  H  H48  1  0.728986  0.740649  0.233848  1
  H  H49  1  0.580430  0.996285  0.197176  1
  H  H50  1  0.632695  0.458042  0.212709  1
  H  H51  1  0.359430  0.766039  0.223550  1
  H  H52  1  0.373055  0.406433  0.233401  1
  H  H53  1  0.256834  0.662778  0.197784  1
  H  H54  1  1.003029  0.432131  0.223055  1
  H  H55  1  0.751246  0.201160  0.248589  1
  H  H56  1  0.380039  0.226498  0.238250  1
  H  H57  1  0.452390  0.869204  0.249259  1
  H  H58  1  0.405360  1.048352  0.243448  1
  H  H59  1  1.080148  0.894552  0.238877  1
  H  H60  1  0.154510  0.997504  0.264368  1
  H  H61  1  1.008909  0.251626  0.227965  1
  H  H62  1  0.105417  0.535357  0.249160  1
  H  H63  1  1.098075  0.715365  0.244181  1
  H  H64  1  0.779841  1.022952  0.253908  1
  H  H65  1  0.735557  0.560867  0.238848  1
  H  H66  1  0.837265  0.664469  0.264824  1
  H  H67  1  0.707134  0.919978  0.228438  1
  H  H68  1  0.743324  0.380761  0.243716  1
  H  H69  1  0.467593  0.689932  0.254503  1
  H  H70  1  0.484175  0.329758  0.264415  1
  H  H71  1  0.365574  0.586278  0.228555  1
  H  H72  1  0.113630  0.355220  0.254066  1
  H  H73  1  0.866655  0.125183  0.279711  1
  H  H74  1  0.494662  0.150567  0.269334  1
  H  H75  1  0.565791  0.792986  0.280379  1
  H  H76  1  0.528820  0.972073  0.274798  1
  H  H77  1  0.195057  0.818373  0.270032  1
  H  H78  1  0.276387  0.921200  0.295606  1
  H  H79  1  0.122893  0.175825  0.258960  1
  H  H80  1  0.216307  0.458823  0.280124  1
  H  H81  1  0.207206  0.638952  0.275140  1
  H  H82  1  0.902803  0.946624  0.285199  1
  H  H83  1  0.845921  0.484305  0.269809  1
  H  H84  1  0.947505  0.587983  0.295784  1
  H  H85  1  0.823835  0.843812  0.259649  1
  H  H86  1  0.854755  0.304255  0.274745  1
  H  H87  1  0.577298  0.613473  0.285459  1
  H  H88  1  0.596242  0.253376  0.295422  1
  H  H89  1  0.475677  0.509828  0.259492  1
  H  H90  1  0.225439  0.278814  0.285079  1
  H  H91  1  0.983067  1.049040  0.310876  1
  H  H92  1  0.610943  0.074433  0.300489  1
  H  H93  1  0.677270  0.716759  0.311399  1
  H  H94  1  0.649528  0.895790  0.305994  1
  H  H95  1  0.306835  0.742141  0.301063  1
  H  H96  1  0.394629  0.844987  0.326752  1
  H  H97  1  0.238784  0.099816  0.290103  1
  H  H98  1  0.328027  0.382479  0.311116  1
  H  H99  1  0.317836  0.562512  0.306113  1
  H  H100  1  1.022225  0.870382  0.316374  1
  H  H101  1  0.957400  0.407898  0.300784  1
  H  H102  1  1.058815  0.511642  0.326780  1
  H  H103  1  0.936358  0.767566  0.290718  1
  H  H104  1  0.967108  0.227966  0.305765  1
  H  H105  1  0.688276  0.537071  0.316445  1
  H  H106  1  0.709067  0.177212  0.326461  1
  H  H107  1  0.586828  0.433350  0.290455  1
  H  H108  1  0.338061  0.202590  0.316111  1
  H  H109  1  1.099165  0.972892  0.342024  1
  H  H110  1  0.727206  0.998281  0.331647  1
  H  H111  1  0.789060  0.640609  0.342420  1
  H  H112  1  0.766791  0.819603  0.337125  1
  H  H113  1  0.418352  0.665980  0.332079  1
  H  H114  1  0.510765  0.768837  0.357870  1
  H  H115  1  0.355177  1.023661  0.321264  1
  H  H116  1  0.440214  0.306290  0.342131  1
  H  H117  1  0.429448  0.486231  0.337119  1
  H  H118  1  0.138806  0.794213  0.347497  1
  H  H119  1  1.069456  0.331679  0.331792  1
  H  H120  1  0.170898  0.435445  0.357799  1
  H  H121  1  1.047750  0.691369  0.321737  1
  H  H122  1  1.080089  0.151845  0.336810  1
  H  H123  1  0.800154  0.460840  0.347458  1
  H  H124  1  0.822011  0.101121  0.357506  1
  H  H125  1  0.698722  0.357070  0.321453  1
  H  H126  1  0.451073  0.126484  0.347159  1
  H  H127  1  0.215090  0.896748  0.373145  1
  H  H128  1  0.843075  0.922138  0.362773  1
  H  H129  1  0.901792  0.564506  0.373460  1
  H  H130  1  0.882717  0.743459  0.368246  1
  H  H131  1  0.530808  0.589867  0.363112  1
  H  H132  1  0.626704  0.692690  0.389006  1
  H  H133  1  0.471116  0.947514  0.352400  1
  H  H134  1  0.552434  0.230121  0.373152  1
  H  H135  1  0.541667  0.410061  0.368139  1
  H  H136  1  0.254675  0.718070  0.378624  1
  H  H137  1  0.181727  0.255512  0.362812  1
  H  H138  1  0.283159  0.359281  0.388817  1
  H  H139  1  0.159870  0.615230  0.352764  1
  H  H140  1  0.192822  0.075742  0.367850  1
  H  H141  1  0.912425  0.384672  0.378478  1
  H  H142  1  0.934131  1.024982  0.388534  1
  H  H143  1  0.810983  0.280906  0.352472  1
  H  H144  1  0.563529  0.050371  0.378192  1
  H  H145  1  0.332353  0.820561  0.404276  1
  H  H146  1  0.959656  0.845969  0.393897  1
  H  H147  1  1.014773  0.488385  0.404506  1
  H  H148  1  0.998814  0.667311  0.399395  1
  H  H149  1  0.643820  0.513761  0.394159  1
  H  H150  1  0.743097  0.616535  0.420168  1
  H  H151  1  0.587252  0.871364  0.383519  1
  H  H152  1  0.664045  0.153839  0.404158  1
  H  H153  1  0.653854  0.333872  0.399155  1
  H  H154  1  0.370938  0.641918  0.409782  1
  H  H155  1  0.293605  0.179280  0.393826  1
  H  H156  1  0.395053  0.283001  0.419815  1
  H  H157  1  0.272814  0.539139  0.383810  1
  H  H158  1  0.304611  0.999592  0.398872  1
  H  H159  1  1.024481  0.308453  0.409486  1
  H  H160  1  1.045523  0.948785  0.419553  1
  H  H161  1  0.923067  0.204709  0.383490  1
  H  H162  1  0.675046  0.974210  0.409207  1
  H  H163  1  0.453061  0.744278  0.435472  1
  H  H164  1  1.079078  0.769727  0.425072  1
  H  H165  1  0.127126  0.412096  0.435525  1
  H  H166  1  0.115226  0.591168  0.430560  1
  H  H167  1  0.756442  0.437537  0.425192  1
  H  H168  1  0.858988  0.540526  0.451310  1
  H  H169  1  0.705494  0.795151  0.414664  1
  H  H170  1  0.774675  0.077399  0.435131  1
  H  H171  1  0.765574  0.257529  0.430146  1
  H  H172  1  0.487219  0.565784  0.440936  1
  H  H173  1  0.404583  0.102878  0.424811  1
  H  H174  1  0.506204  0.206523  0.450778  1
  H  H175  1  0.385639  0.462975  0.414849  1
  H  H176  1  0.416090  0.923365  0.429891  1
  H  H177  1  0.135960  0.232046  0.440462  1
  H  H178  1  0.158046  0.872539  0.450621  1
  H  H179  1  1.034376  0.128368  0.414486  1
  H  H180  1  0.786824  0.897978  0.440239  1
  H  H181  1  0.576522  0.667999  0.466822  1
  H  H182  1  0.202040  0.693399  0.456362  1
  H  H183  1  0.238558  0.335590  0.466554  1
  H  H184  1  0.230636  0.515191  0.461681  1
  H  H185  1  0.868251  0.361131  0.456204  1
  H  H186  1  0.972972  0.464725  0.482305  1
  H  H187  1  0.827372  0.718847  0.445902  1
  H  H188  1  0.883806  1.000987  0.466090  1
  H  H189  1  0.876465  0.180994  0.461110  1
  H  H190  1  0.601842  0.489853  0.472021  1
  H  H191  1  0.514288  1.026419  0.455768  1
  H  H192  1  0.616307  0.130073  0.481716  1
  H  H193  1  0.497707  0.386593  0.445855  1
  H  H194  1  0.529491  0.847147  0.461011  1
  H  H195  1  0.246324  0.155484  0.471423  1
  H  H196  1  0.274748  0.796373  0.481832  1
  H  H197  1  0.144616  0.051882  0.445447  1
  H  H198  1  0.901733  0.821799  0.471393  1
  H  H199  1  0.700775  0.591465  0.498277  1
  H  H200  1  0.325951  0.617133  0.487849  1
  H  H201  1  0.349186  0.258309  0.497561  1
  H  H202  1  0.344371  0.439136  0.492612  1
  H  H203  1  0.978852  0.284220  0.487215  1
  H  H204  1  1.085214  0.387929  0.512867  1
  H  H205  1  0.951396  0.642719  0.477326  1
  H  H206  1  0.991877  0.924713  0.497071  1
  H  H207  1  0.986129  0.104307  0.492046  1
  H  H208  1  0.715648  0.413422  0.502826  1
  H  H209  1  0.622451  0.950313  0.486720  1
  H  H210  1  0.725047  0.053573  0.512487  1
  H  H211  1  0.608826  0.309918  0.476869  1
  H  H212  1  0.649494  0.770846  0.492250  1
  H  H213  1  0.356243  0.078993  0.502311  1
  H  H214  1  0.401451  0.720066  0.513094  1
  H  H215  1  0.252895  0.975702  0.476422  1
  H  H216  1  1.024719  0.745827  0.502725  1
  H  H217  1  0.827750  0.514107  0.529735  1
  H  H218  1  0.451704  0.539425  0.519256  1
  H  H219  1  0.460408  0.180977  0.528670  1
  H  H220  1  0.456022  0.361879  0.523140  1
  H  H221  1  1.089241  0.205962  0.518102  1
  H  H222  1  0.185856  0.310850  0.543137  1
  H  H223  1  1.076301  0.565731  0.508716  1
  H  H224  1  0.104443  0.849018  0.528182  1
  H  H225  1  1.095262  1.026930  0.522875  1
  H  H226  1  0.822088  0.336804  0.533545  1
  H  H227  1  0.732280  0.873697  0.517574  1
  H  H228  1  0.822973  0.977474  0.543159  1
  H  H229  1  0.719739  0.232397  0.507824  1
  H  H230  1  0.777970  0.694529  0.523601  1
  H  H231  1  0.460235  1.002598  0.533119  1
  H  H232  1  0.531126  0.644025  0.544570  1
  H  H233  1  0.362515  0.899198  0.507197  1
  H  H234  1  0.154126  0.669489  0.534028  1
  H  H235  1  0.952528  0.437957  0.562311  1
  H  H236  1  0.577381  0.464669  0.551795  1
  H  H237  1  0.575459  0.108071  0.560878  1
  H  H238  1  0.545597  0.292489  0.554682  1
  H  H239  1  0.199577  0.130102  0.550053  1
  H  H240  1  0.281222  0.247578  0.575118  1
  H  H241  1  0.203084  0.487071  0.540423  1
  H  H242  1  0.214134  0.776449  0.560344  1
  H  H243  1  0.177640  0.957537  0.555011  1
  H  H244  1  0.909658  0.260518  0.565294  1
  H  H245  1  0.844689  0.799636  0.549095  1
  H  H246  1  0.908008  0.908158  0.575294  1
  H  H247  1  0.830074  0.155125  0.539199  1
  H  H248  1  0.904146  0.621064  0.556040  1
  H  H249  1  0.538573  0.932898  0.565095  1
  H  H250  1  0.591389  0.749398  0.570673  1
  H  H251  1  0.471614  0.825215  0.538530  1
  H  H252  1  0.280461  0.593696  0.566327  1
