# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25182224
_cell_length_b   13.03939234
_cell_length_c   65.17407637
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.37404501
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   5116.62369315
_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  0.459962  0.392522  0.169667  1
  H  H2  1  1.085869  0.414525  0.158225  1
  H  H3  1  0.188162  0.054787  0.171343  1
  H  H4  1  1.070472  0.130535  0.139262  1
  H  H5  1  0.815633  0.080810  0.160772  1
  H  H6  1  0.761810  0.259291  0.154044  1
  H  H7  1  0.709405  0.442358  0.147741  1
  H  H8  1  0.828679  0.724893  0.170828  1
  H  H9  1  0.751221  0.972265  0.134607  1
  H  H10  1  0.385995  0.285716  0.143722  1
  H  H11  1  0.458755  0.749989  0.159903  1
  H  H12  1  0.481839  0.922464  0.154892  1
  H  H13  1  0.446698  0.103596  0.149628  1
  H  H14  1  0.379452  0.632807  0.134877  1
  H  H15  1  0.121090  0.946846  0.144807  1
  H  H16  1  0.115259  0.587013  0.155309  1
  H  H17  1  1.081133  0.771534  0.149016  1
  H  H18  1  0.751336  0.620254  0.144693  1
  H  H19  1  0.587510  0.313840  0.201341  1
  H  H20  1  0.211829  0.340040  0.190808  1
  H  H21  1  0.294789  0.981444  0.202618  1
  H  H22  1  0.134585  0.235450  0.165443  1
  H  H23  1  0.925755  1.006943  0.192254  1
  H  H24  1  0.886122  0.185351  0.186378  1
  H  H25  1  0.835772  0.365510  0.180339  1
  H  H26  1  0.939645  0.647469  0.202120  1
  H  H27  1  0.835548  0.903090  0.166719  1
  H  H28  1  0.510973  0.210303  0.175983  1
  H  H29  1  0.570027  0.673946  0.191839  1
  H  H30  1  0.562979  0.853403  0.187020  1
  H  H31  1  0.554622  1.031383  0.181692  1
  H  H32  1  0.474851  0.569194  0.166819  1
  H  H33  1  0.197908  0.877551  0.176759  1
  H  H34  1  0.204332  0.517740  0.186821  1
  H  H35  1  0.198549  0.698913  0.181254  1
  H  H36  1  0.838588  0.542839  0.176395  1
  H  H37  1  0.712349  0.237271  0.232698  1
  H  H38  1  0.337907  0.262670  0.222182  1
  H  H39  1  0.403803  0.905006  0.233379  1
  H  H40  1  0.261424  0.159856  0.196865  1
  H  H41  1  1.034276  0.930417  0.223079  1
  H  H42  1  1.010522  0.109465  0.217677  1
  H  H43  1  0.963131  0.288166  0.211763  1
  H  H44  1  1.050075  0.569978  0.233052  1
  H  H45  1  0.933235  0.826779  0.197396  1
  H  H46  1  0.636697  0.134395  0.207238  1
  H  H47  1  0.680216  0.595677  0.222698  1
  H  H48  1  0.672194  0.775954  0.217836  1
  H  H49  1  0.665038  0.956028  0.212741  1
  H  H50  1  0.574929  0.491723  0.197071  1
  H  H51  1  0.302077  0.801280  0.207566  1
  H  H52  1  0.316070  0.440563  0.217358  1
  H  H53  1  0.310029  0.621647  0.212362  1
  H  H54  1  0.944653  0.466220  0.207131  1
  H  H55  1  0.833942  0.161445  0.264054  1
  H  H56  1  0.460358  0.186776  0.253615  1
  H  H57  1  0.512191  0.828784  0.264366  1
  H  H58  1  0.383947  0.084066  0.228068  1
  H  H59  1  0.142491  0.854255  0.254041  1
  H  H60  1  0.127374  1.033507  0.248835  1
  H  H61  1  1.086691  0.212048  0.243178  1
  H  H62  1  0.160549  0.493330  0.264058  1
  H  H63  1  1.041909  0.750205  0.228160  1
  H  H64  1  0.755984  0.058773  0.238480  1
  H  H65  1  0.790235  0.518812  0.253711  1
  H  H66  1  0.781506  0.699265  0.248763  1
  H  H67  1  0.772943  0.879702  0.243717  1
  H  H68  1  0.687518  0.415030  0.227658  1
  H  H69  1  0.411778  0.724786  0.238453  1
  H  H70  1  0.430025  0.364614  0.248309  1
  H  H71  1  0.420179  0.544357  0.243362  1
  H  H72  1  1.058687  0.389889  0.237958  1
  H  H73  1  0.952203  0.085393  0.295228  1
  H  H74  1  0.579799  0.110746  0.284842  1
  H  H75  1  0.622395  0.752312  0.295331  1
  H  H76  1  0.498187  1.008226  0.259199  1
  H  H77  1  0.252214  0.777787  0.285005  1
  H  H78  1  0.239420  0.957520  0.279892  1
  H  H79  1  0.207059  0.136098  0.274461  1
  H  H80  1  0.272201  0.417092  0.295076  1
  H  H81  1  0.151628  0.673749  0.259090  1
  H  H82  1  0.868936  0.982872  0.269560  1
  H  H83  1  0.901516  0.442479  0.284728  1
  H  H84  1  0.891998  0.622782  0.279723  1
  H  H85  1  0.882140  0.803262  0.274684  1
  H  H86  1  0.801736  0.339348  0.258688  1
  H  H87  1  0.521743  0.648247  0.269408  1
  H  H88  1  0.545509  0.288815  0.279446  1
  H  H89  1  0.530947  0.467872  0.274389  1
  H  H90  1  0.173542  0.314123  0.269067  1
  H  H91  1  1.067605  1.009323  0.326314  1
  H  H92  1  0.696022  1.034682  0.315956  1
  H  H93  1  0.733444  0.676026  0.326330  1
  H  H94  1  0.609837  0.932131  0.290220  1
  H  H95  1  0.363024  0.701437  0.315994  1
  H  H96  1  0.350648  0.881340  0.310887  1
  H  H97  1  0.324267  0.060036  0.305596  1
  H  H98  1  0.384600  0.341040  0.326125  1
  H  H99  1  0.262350  0.597334  0.290051  1
  H  H100  1  0.980239  0.906723  0.300556  1
  H  H101  1  1.013751  0.366392  0.315772  1
  H  H102  1  1.003179  0.546501  0.310715  1
  H  H103  1  0.992672  0.726860  0.305661  1
  H  H104  1  0.917561  0.263521  0.289832  1
  H  H105  1  0.632745  0.571903  0.300382  1
  H  H106  1  0.661533  0.212892  0.310586  1
  H  H107  1  0.642942  0.391734  0.305422  1
  H  H108  1  0.289579  0.238205  0.300210  1
  H  H109  1  0.181918  0.933246  0.357376  1
  H  H110  1  0.810477  0.958604  0.347021  1
  H  H111  1  0.844959  0.599849  0.357349  1
  H  H112  1  0.721113  0.855954  0.321222  1
  H  H113  1  0.474427  0.625234  0.347008  1
  H  H114  1  0.462336  0.805191  0.341904  1
  H  H115  1  0.439063  0.983963  0.336668  1
  H  H116  1  0.497120  0.264980  0.357175  1
  H  H117  1  0.373663  0.521109  0.321054  1
  H  H118  1  1.091681  0.830567  0.331562  1
  H  H119  1  0.126310  0.290344  0.346827  1
  H  H120  1  0.114703  0.470342  0.341735  1
  H  H121  1  1.103917  0.650624  0.336669  1
  H  H122  1  1.033410  0.187577  0.320961  1
  H  H123  1  0.744178  0.495728  0.331395  1
  H  H124  1  0.776764  0.136907  0.341691  1
  H  H125  1  0.755461  0.315695  0.336476  1
  H  H126  1  0.405147  0.162248  0.331328  1
  H  H127  1  0.296785  0.857226  0.388463  1
  H  H128  1  0.925047  0.882555  0.378096  1
  H  H129  1  0.956531  0.523694  0.388371  1
  H  H130  1  0.833075  0.779823  0.352249  1
  H  H131  1  0.586016  0.549075  0.378029  1
  H  H132  1  0.574733  0.729108  0.372948  1
  H  H133  1  0.553431  0.907896  0.367734  1
  H  H134  1  0.609082  0.188849  0.388202  1
  H  H135  1  0.485236  0.444954  0.352075  1
  H  H136  1  0.203884  0.754459  0.362598  1
  H  H137  1  0.238513  0.214236  0.377862  1
  H  H138  1  0.226278  0.394178  0.372756  1
  H  H139  1  0.215492  0.574461  0.367690  1
  H  H140  1  0.148277  0.111556  0.352049  1
  H  H141  1  0.855768  0.419568  0.362416  1
  H  H142  1  0.891131  0.060840  0.372756  1
  H  H143  1  0.867858  0.239612  0.367521  1
  H  H144  1  0.519717  0.086199  0.362403  1
  H  H145  1  0.412633  0.781282  0.419593  1
  H  H146  1  1.040615  0.806598  0.409215  1
  H  H147  1  1.067844  0.447469  0.419373  1
  H  H148  1  0.945595  0.703763  0.383300  1
  H  H149  1  0.697450  0.472900  0.409043  1
  H  H150  1  0.687252  0.653068  0.404002  1
  H  H151  1  0.668661  0.831911  0.398838  1
  H  H152  1  0.720357  0.112672  0.419205  1
  H  H153  1  0.596751  0.368777  0.383094  1
  H  H154  1  0.316443  0.678411  0.393652  1
  H  H155  1  0.349955  0.138080  0.408868  1
  H  H156  1  0.337522  0.317942  0.403764  1
  H  H157  1  0.327016  0.498301  0.398710  1
  H  H158  1  0.262590  1.035480  0.383110  1
  H  H159  1  0.967170  0.343366  0.393431  1
  H  H160  1  1.005928  0.984766  0.403828  1
  H  H161  1  0.979546  0.163463  0.398537  1
  H  H162  1  0.634173  1.010121  0.393468  1
  H  H163  1  0.528458  0.705455  0.450736  1
  H  H164  1  0.156652  0.730680  0.440357  1
  H  H165  1  0.178566  0.371054  0.450334  1
  H  H166  1  1.057994  0.627710  0.414349  1
  H  H167  1  0.808451  0.396556  0.440016  1
  H  H168  1  0.799247  0.576931  0.435035  1
  H  H169  1  0.784686  0.755988  0.429979  1
  H  H170  1  0.832007  1.036577  0.450225  1
  H  H171  1  0.707800  0.292490  0.414093  1
  H  H172  1  0.428678  0.602324  0.424696  1
  H  H173  1  0.461259  0.061930  0.439864  1
  H  H174  1  0.448054  0.241541  0.434740  1
  H  H175  1  0.438196  0.422020  0.429702  1
  H  H176  1  0.377991  0.959409  0.414196  1
  H  H177  1  1.077981  0.267016  0.424420  1
  H  H178  1  0.123136  0.908705  0.434964  1
  H  H179  1  1.090774  0.087283  0.429532  1
  H  H180  1  0.750395  0.934056  0.424582  1
  H  H181  1  0.642677  0.629773  0.481766  1
  H  H182  1  0.271508  0.654914  0.471466  1
  H  H183  1  0.288285  0.294598  0.481264  1
  H  H184  1  0.169645  0.551473  0.445367  1
  H  H185  1  0.918416  0.320017  0.470971  1
  H  H186  1  0.910015  0.500445  0.466063  1
  H  H187  1  0.900169  0.680189  0.461115  1
  H  H188  1  0.946247  0.960737  0.481356  1
  H  H189  1  0.818004  0.216019  0.445059  1
  H  H190  1  0.539959  0.525991  0.455714  1
  H  H191  1  0.574211  0.986030  0.470945  1
  H  H192  1  0.557252  0.165101  0.465707  1
  H  H193  1  0.548689  0.345538  0.460661  1
  H  H194  1  0.496253  0.883358  0.445371  1
  H  H195  1  0.187704  0.190548  0.455384  1
  H  H196  1  0.243503  0.832755  0.466246  1
  H  H197  1  0.202820  1.011296  0.460589  1
  H  H198  1  0.869837  0.858027  0.455810  1
  H  H199  1  0.755265  0.553080  0.512353  1
  H  H200  1  0.385541  0.578582  0.502294  1
  H  H201  1  0.396960  0.218023  0.512028  1
  H  H202  1  0.280120  0.474825  0.476372  1
  H  H203  1  1.028117  0.243523  0.501858  1
  H  H204  1  1.020165  0.423156  0.497063  1
  H  H205  1  1.014125  0.604240  0.492066  1
  H  H206  1  1.068770  0.884947  0.512560  1
  H  H207  1  0.926391  0.139797  0.476046  1
  H  H208  1  0.649978  0.449126  0.486727  1
  H  H209  1  0.693497  0.910408  0.502186  1
  H  H210  1  0.665157  0.088775  0.496683  1
  H  H211  1  0.658000  0.268849  0.491588  1
  H  H212  1  0.617846  0.807531  0.476727  1
  H  H213  1  0.295918  0.114386  0.486345  1
  H  H214  1  0.367064  0.756637  0.497661  1
  H  H215  1  0.319673  0.935338  0.491748  1
  H  H216  1  0.992288  0.782133  0.487243  1
  H  H217  1  0.855344  0.475609  0.542606  1
  H  H218  1  0.491607  0.501964  0.533030  1
  H  H219  1  0.494646  0.141713  0.542705  1
  H  H220  1  0.390550  0.397334  0.507304  1
  H  H221  1  0.132286  0.167252  0.532665  1
  H  H222  1  0.131646  0.345890  0.528171  1
  H  H223  1  0.125862  0.527063  0.522604  1
  H  H224  1  0.195609  0.809353  0.543981  1
  H  H225  1  1.035405  0.063359  0.506806  1
  H  H226  1  0.760168  0.370857  0.517585  1
  H  H227  1  0.819221  0.834500  0.533441  1
  H  H228  1  0.775573  1.013419  0.527733  1
  H  H229  1  0.767215  0.191400  0.522405  1
  H  H230  1  0.742685  0.730963  0.508084  1
  H  H231  1  0.404439  1.037860  0.517171  1
  H  H232  1  0.494422  0.679292  0.529085  1
  H  H233  1  0.444073  0.859452  0.523046  1
  H  H234  1  0.118365  0.704762  0.518616  1
  H  H235  1  0.950742  0.411996  0.574547  1
  H  H236  1  0.578859  0.424549  0.564731  1
  H  H237  1  0.578973  0.072538  0.574817  1
  H  H238  1  0.501516  0.319910  0.538597  1
  H  H239  1  0.209105  0.097957  0.564618  1
  H  H240  1  0.249062  0.273269  0.560409  1
  H  H241  1  0.214936  0.457790  0.554116  1
  H  H242  1  0.259722  0.914268  0.570163  1
  H  H243  1  0.142033  0.990016  0.538081  1
  H  H244  1  0.871440  0.294814  0.549522  1
  H  H245  1  0.944199  0.759087  0.565702  1
  H  H246  1  0.883496  0.941207  0.559797  1
  H  H247  1  0.848355  0.122339  0.554533  1
  H  H248  1  0.870232  0.652281  0.539758  1
  H  H249  1  0.514561  0.963993  0.548652  1
  H  H250  1  0.620789  0.602445  0.561683  1
  H  H251  1  0.568385  0.785511  0.555381  1
  H  H252  1  0.244326  0.630278  0.551200  1
