# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.96853723
_cell_length_b   6.59989026
_cell_length_c   59.14062419
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.02925187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4571.10165947
_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  0.673290  1.061597  0.172029  1
  H  H2  1  0.496644  0.134466  0.203736  1
  H  H3  1  0.330367  0.157349  0.199283  1
  H  H4  1  0.338311  0.813756  0.185665  1
  H  H5  1  0.182899  1.081651  0.173720  1
  H  H6  1  0.164276  0.766070  0.196816  1
  H  H7  1  0.993222  0.135366  0.201912  1
  H  H8  1  1.003014  0.792336  0.191427  1
  H  H9  1  1.007206  0.442531  0.178206  1
  H  H10  1  0.840054  1.042542  0.176453  1
  H  H11  1  0.856237  0.711852  0.166039  1
  H  H12  1  0.834874  0.396044  0.189411  1
  H  H13  1  0.665445  0.762864  0.196127  1
  H  H14  1  0.671274  0.415586  0.183695  1
  H  H15  1  0.498963  0.778784  0.191217  1
  H  H16  1  0.501493  0.427000  0.179426  1
  H  H17  1  0.322274  0.503959  0.209685  1
  H  H18  1  0.170482  0.415667  0.183830  1
  H  H19  1  0.658231  0.118075  0.209634  1
  H  H20  1  0.466645  0.189109  0.241040  1
  H  H21  1  0.304414  0.211411  0.236510  1
  H  H22  1  0.312927  0.855929  0.223672  1
  H  H23  1  0.155191  0.122034  0.210840  1
  H  H24  1  0.139447  0.822901  0.233799  1
  H  H25  1  0.968163  0.191471  0.239985  1
  H  H26  1  0.976538  0.843231  0.228856  1
  H  H27  1  0.984797  0.489875  0.216163  1
  H  H28  1  0.820750  1.101621  0.213829  1
  H  H29  1  0.827405  0.749855  0.203087  1
  H  H30  1  0.812269  0.455205  0.226378  1
  H  H31  1  0.640313  0.823069  0.233516  1
  H  H32  1  0.649139  0.470329  0.221483  1
  H  H33  1  0.475864  0.836695  0.228793  1
  H  H34  1  0.486463  0.488432  0.217279  1
  H  H35  1  0.295534  0.559750  0.247781  1
  H  H36  1  0.147258  0.469104  0.221241  1
  H  H37  1  0.629655  0.175087  0.246120  1
  H  H38  1  0.439094  0.248728  0.278223  1
  H  H39  1  0.276658  0.267830  0.273694  1
  H  H40  1  0.285511  0.913430  0.260977  1
  H  H41  1  0.129911  0.178410  0.246946  1
  H  H42  1  0.112152  0.881432  0.270639  1
  H  H43  1  0.939901  0.248923  0.277520  1
  H  H44  1  0.948829  0.898997  0.265943  1
  H  H45  1  0.958512  0.546070  0.253399  1
  H  H46  1  0.793868  0.160477  0.250498  1
  H  H47  1  0.802112  0.809313  0.239131  1
  H  H48  1  0.784145  0.513072  0.262931  1
  H  H49  1  0.611867  0.881851  0.270474  1
  H  H50  1  0.620265  0.527579  0.258236  1
  H  H51  1  0.447999  0.895483  0.265858  1
  H  H52  1  0.457971  0.544988  0.253981  1
  H  H53  1  0.267426  0.618161  0.285392  1
  H  H54  1  0.121100  0.527219  0.258101  1
  H  H55  1  0.602272  0.234208  0.282886  1
  H  H56  1  0.411606  0.308908  0.315301  1
  H  H57  1  0.248754  0.326334  0.310821  1
  H  H58  1  0.257761  0.971889  0.298261  1
  H  H59  1  0.102521  0.235202  0.283400  1
  H  H60  1  0.084433  0.940527  0.307522  1
  H  H61  1  0.912041  0.309073  0.314848  1
  H  H62  1  0.920953  0.957344  0.302968  1
  H  H63  1  0.930465  0.603814  0.290491  1
  H  H64  1  0.766209  0.219199  0.287282  1
  H  H65  1  0.774254  0.866176  0.275476  1
  H  H66  1  0.756737  0.572310  0.299676  1
  H  H67  1  0.584379  0.941561  0.307426  1
  H  H68  1  0.593076  0.587430  0.295131  1
  H  H69  1  0.420653  0.955275  0.302936  1
  H  H70  1  0.430333  0.603679  0.290867  1
  H  H71  1  0.239601  0.677992  0.322769  1
  H  H72  1  0.093444  0.586196  0.295015  1
  H  H73  1  0.574961  0.294404  0.319747  1
  H  H74  1  0.384221  0.369738  0.352313  1
  H  H75  1  0.221084  0.386188  0.347881  1
  H  H76  1  0.230158  1.031955  0.335421  1
  H  H77  1  0.075002  0.294419  0.320067  1
  H  H78  1  0.056950  1.001140  0.344425  1
  H  H79  1  0.884503  0.370094  0.352016  1
  H  H80  1  0.893460  1.017553  0.339982  1
  H  H81  1  0.902867  0.663730  0.327552  1
  H  H82  1  0.738739  0.279342  0.324139  1
  H  H83  1  0.747175  0.925819  0.312106  1
  H  H84  1  0.729384  0.632798  0.336498  1
  H  H85  1  0.556890  1.001959  0.344335  1
  H  H86  1  0.565812  0.647929  0.332040  1
  H  H87  1  0.393279  1.015920  0.339958  1
  H  H88  1  0.402745  0.663334  0.327791  1
  H  H89  1  0.212069  0.738906  0.359977  1
  H  H90  1  0.066061  0.646743  0.331970  1
  H  H91  1  0.547638  0.355254  0.356646  1
  H  H92  1  0.356898  0.430987  0.389280  1
  H  H93  1  0.193524  0.446728  0.384880  1
  H  H94  1  0.202692  1.092761  0.372485  1
  H  H95  1  0.047669  0.355122  0.356887  1
  H  H96  1  1.029457  1.062149  0.381350  1
  H  H97  1  0.857006  0.431289  0.389049  1
  H  H98  1  0.865982  1.078341  0.376963  1
  H  H99  1  0.875302  0.724377  0.364551  1
  H  H100  1  0.711236  0.340007  0.361034  1
  H  H101  1  0.719954  0.986472  0.348898  1
  H  H102  1  0.701969  0.693712  0.373395  1
  H  H103  1  0.529445  1.062773  0.381238  1
  H  H104  1  0.538519  0.709015  0.368963  1
  H  H105  1  0.365998  1.077155  0.376944  1
  H  H106  1  0.375243  0.723852  0.364710  1
  H  H107  1  0.184624  0.800020  0.397036  1
  H  H108  1  0.038684  0.707985  0.368929  1
  H  H109  1  0.520332  0.416520  0.393578  1
  H  H110  1  0.329593  0.492252  0.426212  1
  H  H111  1  0.165994  0.507499  0.421824  1
  H  H112  1  0.175262  0.153794  0.409463  1
  H  H113  1  1.020225  0.416217  0.393809  1
  H  H114  1  1.001928  0.123129  0.418307  1
  H  H115  1  0.829562  0.492384  0.425971  1
  H  H116  1  0.838547  0.139521  0.413929  1
  H  H117  1  0.847773  0.785357  0.401508  1
  H  H118  1  0.683707  0.400778  0.397978  1
  H  H119  1  0.692607  1.047486  0.385822  1
  H  H120  1  0.674539  0.754745  0.410373  1
  H  H121  1  0.501988  0.123654  0.418148  1
  H  H122  1  0.511233  0.770351  0.405914  1
  H  H123  1  0.338711  0.138491  0.413895  1
  H  H124  1  0.347785  0.784733  0.401620  1
  H  H125  1  0.157277  0.861034  0.433961  1
  H  H126  1  1.011248  0.769165  0.405895  1
  H  H127  1  0.493010  0.477768  0.430545  1
  H  H128  1  0.302270  0.553103  0.463111  1
  H  H129  1  0.138492  0.568164  0.458719  1
  H  H130  1  0.147847  0.214709  0.446360  1
  H  H131  1  0.992727  0.477412  0.430842  1
  H  H132  1  0.974363  0.183776  0.455306  1
  H  H133  1  0.802229  0.553087  0.462791  1
  H  H134  1  0.811170  0.200763  0.450888  1
  H  H135  1  0.820281  0.846366  0.438433  1
  H  H136  1  0.656147  0.461318  0.434977  1
  H  H137  1  0.665162  0.108600  0.422881  1
  H  H138  1  0.647073  0.815551  0.447437  1
  H  H139  1  0.474486  0.184172  0.455067  1
  H  H140  1  0.483952  0.831586  0.442900  1
  H  H141  1  0.311418  0.199578  0.450818  1
  H  H142  1  0.320341  0.845547  0.438523  1
  H  H143  1  0.130056  0.921687  0.470753  1
  H  H144  1  0.983771  0.829953  0.442876  1
  H  H145  1  0.465625  0.538598  0.467557  1
  H  H146  1  0.274959  0.613298  0.499972  1
  H  H147  1  0.111021  0.628308  0.495576  1
  H  H148  1  0.120494  0.275196  0.483182  1
  H  H149  1  0.965190  0.538433  0.468010  1
  H  H150  1  0.946765  0.243692  0.492367  1
  H  H151  1  0.774710  0.612304  0.499458  1
  H  H152  1  0.783787  0.261310  0.487843  1
  H  H153  1  0.792797  0.906980  0.475336  1
  H  H154  1  0.628477  0.521172  0.472037  1
  H  H155  1  0.637629  0.169514  0.460089  1
  H  H156  1  0.619469  0.875617  0.484597  1
  H  H157  1  0.446897  0.243827  0.491991  1
  H  H158  1  0.456577  0.892231  0.479923  1
  H  H159  1  0.284154  0.260076  0.487727  1
  H  H160  1  0.292852  0.905945  0.475432  1
  H  H161  1  0.102976  0.981330  0.507382  1
  H  H162  1  0.956277  0.890162  0.479890  1
  H  H163  1  0.438137  0.598778  0.504635  1
  H  H164  1  0.247576  0.672419  0.536738  1
  H  H165  1  0.083363  0.687029  0.532360  1
  H  H166  1  0.093085  0.334434  0.519927  1
  H  H167  1  0.937329  0.598583  0.505338  1
  H  H168  1  0.918718  0.301436  0.529459  1
  H  H169  1  0.747320  0.669097  0.535912  1
  H  H170  1  0.756131  0.320287  0.524757  1
  H  H171  1  0.765079  0.966074  0.512219  1
  H  H172  1  0.600572  0.579676  0.509164  1
  H  H173  1  0.609804  0.229345  0.497466  1
  H  H174  1  0.591720  0.934076  0.521881  1
  H  H175  1  0.419260  0.302519  0.528877  1
  H  H176  1  0.429232  0.952023  0.517000  1
  H  H177  1  0.256966  0.319927  0.524622  1
  H  H178  1  0.265364  0.965655  0.512384  1
  H  H179  1  0.075118  1.038193  0.543727  1
  H  H180  1  0.928402  0.948509  0.516915  1
  H  H181  1  0.410586  0.658397  0.541818  1
  H  H182  1  0.218999  0.729431  0.573224  1
  H  H183  1  0.056480  0.745885  0.569029  1
  H  H184  1  0.064961  0.392302  0.556480  1
  H  H185  1  0.909068  0.656035  0.542873  1
  H  H186  1  0.892433  0.357631  0.566695  1
  H  H187  1  0.722040  0.725472  0.572018  1
  H  H188  1  0.729973  0.378403  0.561617  1
  H  H189  1  0.737783  1.024606  0.549059  1
  H  H190  1  0.572817  0.636095  0.546348  1
  H  H191  1  0.581697  0.287756  0.535077  1
  H  H192  1  0.564304  0.991577  0.559186  1
  H  H193  1  0.390768  0.359074  0.565579  1
  H  H194  1  0.401367  1.010811  0.554065  1
  H  H195  1  0.228092  0.377177  0.561375  1
  H  H196  1  0.236917  1.024437  0.549342  1
  H  H197  1  0.049826  1.097651  0.579771  1
  H  H198  1  0.900693  1.004275  0.554002  1
  H  H199  1  0.380587  0.713040  0.579122  1
  H  H200  1  0.203941  0.785909  0.610829  1
  H  H201  1  1.037177  0.804964  0.606405  1
  H  H202  1  0.042357  0.451462  0.593447  1
  H  H203  1  0.884009  0.712140  0.580946  1
  H  H204  1  0.870024  0.404975  0.604652  1
  H  H205  1  0.694332  0.765855  0.609138  1
  H  H206  1  0.706748  0.431839  0.599028  1
  H  H207  1  0.712954  1.081437  0.586042  1
  H  H208  1  0.546863  0.690158  0.583575  1
  H  H209  1  0.554957  0.343547  0.573173  1
  H  H210  1  0.538920  1.033750  0.597193  1
  H  H211  1  0.375738  0.420507  0.603432  1
  H  H212  1  0.378267  1.068722  0.591641  1
  H  H213  1  0.205957  0.431920  0.599163  1
  H  H214  1  0.211785  1.084642  0.586731  1
  H  H215  1  1.020994  0.135654  0.616819  1
  H  H216  1  0.874217  1.055170  0.591431  1
