# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92893537
_cell_length_b   11.98015115
_cell_length_c   63.96105199
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.50145142
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4542.95224051
_cell_formula_units_Z   108
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  0.746967  0.846794  0.146544  1
  H  H2  1  0.377730  0.845052  0.158441  1
  H  H3  1  0.438635  0.678562  0.177254  1
  H  H4  1  0.746967  0.513460  0.146544  1
  H  H5  1  1.023578  0.845734  0.171422  1
  H  H6  1  1.150585  0.678989  0.152294  1
  H  H7  1  0.377730  0.511719  0.158441  1
  H  H8  1  0.438635  0.345228  0.177254  1
  H  H9  1  0.746967  0.180127  0.146544  1
  H  H10  1  0.789758  0.679688  0.165219  1
  H  H11  1  1.023578  0.512401  0.171422  1
  H  H12  1  1.150585  0.345656  0.152294  1
  H  H13  1  0.377730  0.178385  0.158441  1
  H  H14  1  0.438635  0.011895  0.177254  1
  H  H15  1  0.789758  0.346354  0.165219  1
  H  H16  1  1.023578  0.179068  0.171422  1
  H  H17  1  1.150585  0.012322  0.152294  1
  H  H18  1  0.789758  0.013021  0.165219  1
  H  H19  1  0.665281  0.845770  0.183371  1
  H  H20  1  0.310594  0.845331  0.195305  1
  H  H21  1  0.379230  0.678674  0.213456  1
  H  H22  1  0.665281  0.512437  0.183371  1
  H  H23  1  0.955223  0.845515  0.207393  1
  H  H24  1  1.086180  0.678837  0.189391  1
  H  H25  1  0.310594  0.511998  0.195305  1
  H  H26  1  0.379230  0.345341  0.213456  1
  H  H27  1  0.665281  0.179103  0.183371  1
  H  H28  1  0.733149  0.678969  0.201536  1
  H  H29  1  0.955223  0.512182  0.207393  1
  H  H30  1  1.086180  0.345504  0.189391  1
  H  H31  1  0.310594  0.178665  0.195305  1
  H  H32  1  0.379230  0.012007  0.213456  1
  H  H33  1  0.733149  0.345636  0.201536  1
  H  H34  1  0.955223  0.178849  0.207393  1
  H  H35  1  1.086180  0.012170  0.189391  1
  H  H36  1  0.733149  0.012303  0.201536  1
  H  H37  1  0.600379  0.845469  0.219459  1
  H  H38  1  0.245783  0.845382  0.231501  1
  H  H39  1  0.315780  0.678693  0.249743  1
  H  H40  1  0.600379  0.512135  0.219459  1
  H  H41  1  0.891130  0.845397  0.243596  1
  H  H42  1  1.025093  0.678753  0.225576  1
  H  H43  1  0.245783  0.512048  0.231501  1
  H  H44  1  0.315780  0.345360  0.249743  1
  H  H45  1  0.600379  0.178802  0.219459  1
  H  H46  1  0.670385  0.678742  0.237683  1
  H  H47  1  0.891130  0.512063  0.243596  1
  H  H48  1  1.025093  0.345419  0.225576  1
  H  H49  1  0.245783  0.178715  0.231501  1
  H  H50  1  0.315780  0.012026  0.249743  1
  H  H51  1  0.670385  0.345408  0.237683  1
  H  H52  1  0.891130  0.178730  0.243596  1
  H  H53  1  1.025093  0.012086  0.225576  1
  H  H54  1  0.670385  0.012075  0.237683  1
  H  H55  1  0.536443  0.845371  0.255681  1
  H  H56  1  0.181825  0.845341  0.267755  1
  H  H57  1  0.251879  0.678629  0.286007  1
  H  H58  1  0.536443  0.512038  0.255681  1
  H  H59  1  0.827184  0.845319  0.279842  1
  H  H60  1  0.961169  0.678678  0.261839  1
  H  H61  1  0.181825  0.512008  0.267755  1
  H  H62  1  0.251879  0.345295  0.286007  1
  H  H63  1  0.536443  0.178705  0.255681  1
  H  H64  1  0.606515  0.678655  0.273928  1
  H  H65  1  0.827184  0.511986  0.279842  1
  H  H66  1  0.961169  0.345345  0.261839  1
  H  H67  1  0.181825  0.178674  0.267755  1
  H  H68  1  0.251879  0.011962  0.286007  1
  H  H69  1  0.606515  0.345322  0.273928  1
  H  H70  1  0.827184  0.178652  0.279842  1
  H  H71  1  0.961169  0.012012  0.261839  1
  H  H72  1  0.606515  0.011988  0.273928  1
  H  H73  1  0.472533  0.845295  0.291926  1
  H  H74  1  1.117897  0.845269  0.304007  1
  H  H75  1  0.187966  0.678555  0.322261  1
  H  H76  1  0.472533  0.511962  0.291926  1
  H  H77  1  0.763258  0.845245  0.316092  1
  H  H78  1  0.897247  0.678604  0.298094  1
  H  H79  1  1.117897  0.511936  0.304007  1
  H  H80  1  0.187966  0.345221  0.322261  1
  H  H81  1  0.472533  0.178628  0.291926  1
  H  H82  1  0.542604  0.678579  0.310178  1
  H  H83  1  0.763258  0.511911  0.316092  1
  H  H84  1  0.897247  0.345270  0.298094  1
  H  H85  1  1.117897  0.178603  0.304007  1
  H  H86  1  0.187966  0.011888  0.322261  1
  H  H87  1  0.542604  0.345246  0.310178  1
  H  H88  1  0.763258  0.178578  0.316092  1
  H  H89  1  0.897247  0.011937  0.298094  1
  H  H90  1  0.542604  0.011913  0.310178  1
  H  H91  1  0.408615  0.845220  0.328175  1
  H  H92  1  1.053976  0.845195  0.340258  1
  H  H93  1  1.124046  0.678480  0.358512  1
  H  H94  1  0.408615  0.511887  0.328175  1
  H  H95  1  0.699336  0.845171  0.352342  1
  H  H96  1  0.833326  0.678530  0.334345  1
  H  H97  1  1.053976  0.511862  0.340258  1
  H  H98  1  1.124046  0.345147  0.358512  1
  H  H99  1  0.408615  0.178554  0.328175  1
  H  H100  1  0.478686  0.678505  0.346429  1
  H  H101  1  0.699336  0.511837  0.352342  1
  H  H102  1  0.833326  0.345196  0.334345  1
  H  H103  1  1.053976  0.178529  0.340258  1
  H  H104  1  1.124046  0.011814  0.358512  1
  H  H105  1  0.478686  0.345172  0.346429  1
  H  H106  1  0.699336  0.178504  0.352342  1
  H  H107  1  0.833326  0.011863  0.334345  1
  H  H108  1  0.478686  0.011838  0.346429  1
  H  H109  1  0.344695  0.845146  0.364425  1
  H  H110  1  0.990055  0.845121  0.376509  1
  H  H111  1  1.060127  0.678406  0.394762  1
  H  H112  1  0.344695  0.511813  0.364425  1
  H  H113  1  0.635415  0.845097  0.388592  1
  H  H114  1  0.769406  0.678456  0.370596  1
  H  H115  1  0.990055  0.511788  0.376509  1
  H  H116  1  1.060127  0.345073  0.394762  1
  H  H117  1  0.344695  0.178479  0.364425  1
  H  H118  1  0.414766  0.678431  0.382680  1
  H  H119  1  0.635415  0.511763  0.388592  1
  H  H120  1  0.769406  0.345122  0.370596  1
  H  H121  1  0.990055  0.178455  0.376509  1
  H  H122  1  1.060127  0.011739  0.394762  1
  H  H123  1  0.414766  0.345098  0.382680  1
  H  H124  1  0.635415  0.178430  0.388592  1
  H  H125  1  0.769406  0.011789  0.370596  1
  H  H126  1  0.414766  0.011764  0.382680  1
  H  H127  1  0.280776  0.845072  0.400677  1
  H  H128  1  0.926137  0.845047  0.412759  1
  H  H129  1  0.996209  0.678331  0.431011  1
  H  H130  1  0.280776  0.511738  0.400677  1
  H  H131  1  0.571495  0.845023  0.424844  1
  H  H132  1  0.705484  0.678382  0.406846  1
  H  H133  1  0.926137  0.511714  0.412759  1
  H  H134  1  0.996209  0.344998  0.431011  1
  H  H135  1  0.280776  0.178405  0.400677  1
  H  H136  1  0.350844  0.678357  0.418930  1
  H  H137  1  0.571495  0.511689  0.424844  1
  H  H138  1  0.705484  0.345048  0.406846  1
  H  H139  1  0.926137  0.178380  0.412759  1
  H  H140  1  0.996209  0.011665  0.431011  1
  H  H141  1  0.350844  0.345024  0.418930  1
  H  H142  1  0.571495  0.178356  0.424844  1
  H  H143  1  0.705484  0.011715  0.406846  1
  H  H144  1  0.350844  0.011690  0.418930  1
  H  H145  1  0.216862  0.844998  0.436930  1
  H  H146  1  0.862227  0.844971  0.449009  1
  H  H147  1  0.932298  0.678255  0.467256  1
  H  H148  1  0.216862  0.511664  0.436930  1
  H  H149  1  0.507572  0.844948  0.461099  1
  H  H150  1  0.641558  0.678307  0.443095  1
  H  H151  1  0.862227  0.511638  0.449009  1
  H  H152  1  0.932298  0.344922  0.467256  1
  H  H153  1  0.216862  0.178331  0.436930  1
  H  H154  1  0.286917  0.678285  0.455182  1
  H  H155  1  0.507572  0.511615  0.461099  1
  H  H156  1  0.641558  0.344974  0.443095  1
  H  H157  1  0.862227  0.178305  0.449009  1
  H  H158  1  0.932298  0.011588  0.467256  1
  H  H159  1  0.286917  0.344952  0.455182  1
  H  H160  1  0.507572  0.178281  0.461099  1
  H  H161  1  0.641558  0.011641  0.443095  1
  H  H162  1  0.286917  0.011619  0.455182  1
  H  H163  1  1.152961  0.844933  0.473194  1
  H  H164  1  0.798357  0.844885  0.485255  1
  H  H165  1  0.868363  0.678158  0.503479  1
  H  H166  1  1.152961  0.511600  0.473194  1
  H  H167  1  0.443648  0.844874  0.497362  1
  H  H168  1  0.577611  0.678230  0.479341  1
  H  H169  1  0.798357  0.511552  0.485255  1
  H  H170  1  0.868363  0.344824  0.503479  1
  H  H171  1  1.152961  0.178267  0.473194  1
  H  H172  1  0.222959  0.678245  0.491437  1
  H  H173  1  0.443648  0.511540  0.497362  1
  H  H174  1  0.577611  0.344896  0.479341  1
  H  H175  1  0.798357  0.178218  0.485255  1
  H  H176  1  0.868363  0.011491  0.503479  1
  H  H177  1  0.222959  0.344911  0.491437  1
  H  H178  1  0.443648  0.178207  0.497362  1
  H  H179  1  0.577611  0.011563  0.479341  1
  H  H180  1  0.222959  0.011578  0.491437  1
  H  H181  1  1.089512  0.844953  0.509482  1
  H  H182  1  0.735592  0.844657  0.521401  1
  H  H183  1  0.803460  0.677856  0.539566  1
  H  H184  1  1.089512  0.511619  0.509482  1
  H  H185  1  0.382561  0.844789  0.533546  1
  H  H186  1  0.513518  0.678111  0.515545  1
  H  H187  1  0.735592  0.511324  0.521401  1
  H  H188  1  0.803460  0.344523  0.539566  1
  H  H189  1  1.089512  0.178286  0.509482  1
  H  H190  1  1.158148  0.678295  0.527633  1
  H  H191  1  0.382561  0.511456  0.533546  1
  H  H192  1  0.513518  0.344778  0.515545  1
  H  H193  1  0.735592  0.177990  0.521401  1
  H  H194  1  0.803460  0.011190  0.539566  1
  H  H195  1  1.158148  0.344962  0.527633  1
  H  H196  1  0.382561  0.178123  0.533546  1
  H  H197  1  0.513518  0.011444  0.515545  1
  H  H198  1  1.158148  0.011628  0.527633  1
  H  H199  1  1.030106  0.845065  0.545684  1
  H  H200  1  0.678984  0.843939  0.557719  1
  H  H201  1  0.721775  0.676833  0.576393  1
  H  H202  1  1.030106  0.511731  0.545684  1
  H  H203  1  0.318156  0.844637  0.570644  1
  H  H204  1  0.445163  0.677892  0.551516  1
  H  H205  1  0.678984  0.510605  0.557719  1
  H  H206  1  0.721775  0.343499  0.576393  1
  H  H207  1  1.030106  0.178398  0.545684  1
  H  H208  1  1.091012  0.678574  0.564497  1
  H  H209  1  0.318156  0.511304  0.570644  1
  H  H210  1  0.445163  0.344559  0.551516  1
  H  H211  1  0.678984  0.177272  0.557719  1
  H  H212  1  0.721775  0.010166  0.576393  1
  H  H213  1  1.091012  0.345241  0.564497  1
  H  H214  1  0.318156  0.177971  0.570644  1
  H  H215  1  0.445163  0.011225  0.551516  1
  H  H216  1  1.091012  0.011908  0.564497  1
