# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.34021709
_cell_length_b   14.15633196
_cell_length_c   46.57512670
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.44171543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   7838.18190571
_cell_formula_units_Z   144
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  0.751510  0.182594  0.327390  1
  H  H2  1  0.084843  0.849260  0.327390  1
  H  H3  1  0.127181  0.211663  0.308871  1
  H  H4  1  0.502852  0.240732  0.290353  1
  H  H5  1  0.836185  0.907399  0.290353  1
  H  H6  1  0.169518  0.574065  0.290353  1
  H  H7  1  0.418176  0.515927  0.327390  1
  H  H8  1  0.460514  0.878329  0.308871  1
  H  H9  1  0.793847  0.544996  0.308871  1
  H  H10  1  0.809009  0.495720  0.302240  1
  H  H11  1  0.142343  0.162387  0.302240  1
  H  H12  1  0.184680  0.524789  0.283721  1
  H  H13  1  0.433338  0.466651  0.320758  1
  H  H14  1  0.766672  0.133317  0.320758  1
  H  H15  1  0.100005  0.799984  0.320758  1
  H  H16  1  0.475676  0.829053  0.302240  1
  H  H17  1  0.518014  0.191456  0.283721  1
  H  H18  1  0.851347  0.858123  0.283721  1
  H  H19  1  0.648350  0.392864  0.299612  1
  H  H20  1  0.981683  0.059531  0.299612  1
  H  H21  1  0.024021  0.421933  0.281094  1
  H  H22  1  0.272679  0.363795  0.318131  1
  H  H23  1  0.606012  0.030461  0.318131  1
  H  H24  1  0.939345  0.697128  0.318131  1
  H  H25  1  0.315016  0.726197  0.299612  1
  H  H26  1  0.357354  0.088600  0.281094  1
  H  H27  1  0.690687  0.755267  0.281094  1
  H  H28  1  0.663511  0.343588  0.292980  1
  H  H29  1  0.996845  0.010255  0.292980  1
  H  H30  1  0.912169  0.285450  0.330017  1
  H  H31  1  0.287840  0.314519  0.311499  1
  H  H32  1  0.621174  0.981185  0.311499  1
  H  H33  1  0.954507  0.647852  0.311499  1
  H  H34  1  0.330178  0.676921  0.292980  1
  H  H35  1  0.245503  0.952116  0.330017  1
  H  H36  1  0.578836  0.618783  0.330017  1
  H  H37  1  0.624497  0.095386  0.382946  1
  H  H38  1  0.957830  0.762053  0.382946  1
  H  H39  1  0.000168  0.124455  0.364427  1
  H  H40  1  0.375839  0.153524  0.345909  1
  H  H41  1  0.709172  0.820191  0.345909  1
  H  H42  1  0.042505  0.486858  0.345909  1
  H  H43  1  0.291163  0.428719  0.382946  1
  H  H44  1  0.333501  0.791122  0.364427  1
  H  H45  1  0.666834  0.457788  0.364427  1
  H  H46  1  0.681996  0.408512  0.357795  1
  H  H47  1  0.015330  0.075179  0.357795  1
  H  H48  1  0.057667  0.437582  0.339277  1
  H  H49  1  0.306325  0.379443  0.376314  1
  H  H50  1  0.639659  0.046110  0.376314  1
  H  H51  1  0.972992  0.712777  0.376314  1
  H  H52  1  0.348663  0.741846  0.357795  1
  H  H53  1  0.391001  0.104248  0.339277  1
  H  H54  1  0.724334  0.770915  0.339277  1
  H  H55  1  0.521337  0.305656  0.355168  1
  H  H56  1  0.854670  0.972323  0.355168  1
  H  H57  1  0.897008  0.334726  0.336649  1
  H  H58  1  0.145666  0.276587  0.373686  1
  H  H59  1  0.478999  0.943254  0.373686  1
  H  H60  1  0.812332  0.609921  0.373686  1
  H  H61  1  0.188003  0.638990  0.355168  1
  H  H62  1  0.230341  0.001392  0.336649  1
  H  H63  1  0.563674  0.668059  0.336649  1
  H  H64  1  0.536498  0.256380  0.348536  1
  H  H65  1  0.869832  0.923047  0.348536  1
  H  H66  1  0.785156  0.198242  0.385573  1
  H  H67  1  0.160827  0.227311  0.367054  1
  H  H68  1  0.494161  0.893978  0.367054  1
  H  H69  1  0.827494  0.560644  0.367054  1
  H  H70  1  0.203165  0.589714  0.348536  1
  H  H71  1  0.118490  0.864909  0.385573  1
  H  H72  1  0.451823  0.531575  0.385573  1
  H  H73  1  0.497484  0.008178  0.438501  1
  H  H74  1  0.830817  0.674845  0.438501  1
  H  H75  1  0.873155  0.037247  0.419983  1
  H  H76  1  0.248826  0.066317  0.401464  1
  H  H77  1  0.582159  0.732983  0.401464  1
  H  H78  1  0.915492  0.399650  0.401464  1
  H  H79  1  0.164150  0.341512  0.438501  1
  H  H80  1  0.206488  0.703914  0.419983  1
  H  H81  1  0.539821  0.370581  0.419983  1
  H  H82  1  0.554983  0.321305  0.413351  1
  H  H83  1  0.888317  0.987971  0.413351  1
  H  H84  1  0.930654  0.350374  0.394832  1
  H  H85  1  0.179312  0.292236  0.431869  1
  H  H86  1  0.512645  0.958902  0.431869  1
  H  H87  1  0.845979  0.625569  0.431869  1
  H  H88  1  0.221650  0.654638  0.413351  1
  H  H89  1  0.263988  0.017041  0.394832  1
  H  H90  1  0.597321  0.683707  0.394832  1
  H  H91  1  0.394323  0.218449  0.410723  1
  H  H92  1  0.727657  0.885115  0.410723  1
  H  H93  1  0.769994  0.247518  0.392205  1
  H  H94  1  0.018652  0.189380  0.429242  1
  H  H95  1  0.351986  0.856046  0.429242  1
  H  H96  1  0.685319  0.522713  0.429242  1
  H  H97  1  0.060990  0.551782  0.410723  1
  H  H98  1  0.103328  0.914185  0.392205  1
  H  H99  1  0.436661  0.580851  0.392205  1
  H  H100  1  0.409485  0.169173  0.404092  1
  H  H101  1  0.742819  0.835839  0.404092  1
  H  H102  1  0.658143  0.111034  0.441129  1
  H  H103  1  0.033814  0.140104  0.422610  1
  H  H104  1  0.367148  0.806770  0.422610  1
  H  H105  1  0.700481  0.473437  0.422610  1
  H  H106  1  0.076152  0.502506  0.404092  1
  H  H107  1  0.991477  0.777701  0.441129  1
  H  H108  1  0.324810  0.444368  0.441129  1
  H  H109  1  0.370471  0.920971  0.494057  1
  H  H110  1  0.703804  0.587637  0.494057  1
  H  H111  1  0.746142  0.950040  0.475538  1
  H  H112  1  0.121813  0.979109  0.457020  1
  H  H113  1  0.455146  0.645776  0.457020  1
  H  H114  1  0.788479  0.312442  0.457020  1
  H  H115  1  0.037137  0.254304  0.494057  1
  H  H116  1  0.079475  0.616707  0.475538  1
  H  H117  1  0.412808  0.283373  0.475538  1
  H  H118  1  0.427970  0.234097  0.468906  1
  H  H119  1  0.761303  0.900764  0.468906  1
  H  H120  1  0.803641  0.263166  0.450388  1
  H  H121  1  0.052299  0.205028  0.487425  1
  H  H122  1  0.385632  0.871695  0.487425  1
  H  H123  1  0.718966  0.538361  0.487425  1
  H  H124  1  0.094637  0.567430  0.468906  1
  H  H125  1  0.136974  0.929833  0.450388  1
  H  H126  1  0.470308  0.596500  0.450388  1
  H  H127  1  0.267310  0.131241  0.466279  1
  H  H128  1  0.600644  0.797908  0.466279  1
  H  H129  1  0.642981  0.160310  0.447760  1
  H  H130  1  0.891639  0.102172  0.484797  1
  H  H131  1  0.224973  0.768839  0.484797  1
  H  H132  1  0.558306  0.435505  0.484797  1
  H  H133  1  0.933977  0.464574  0.466279  1
  H  H134  1  0.976315  0.826977  0.447760  1
  H  H135  1  0.309648  0.493644  0.447760  1
  H  H136  1  0.282472  0.081965  0.459647  1
  H  H137  1  0.615806  0.748632  0.459647  1
  H  H138  1  0.531130  0.023827  0.496684  1
  H  H139  1  0.906801  0.052896  0.478166  1
  H  H140  1  0.240135  0.719563  0.478166  1
  H  H141  1  0.573468  0.386229  0.478166  1
  H  H142  1  0.949139  0.415298  0.459647  1
  H  H143  1  0.864464  0.690493  0.496684  1
  H  H144  1  0.197797  0.357160  0.496684  1
  H  H145  1  0.243458  0.833763  0.549612  1
  H  H146  1  0.576791  0.500430  0.549612  1
  H  H147  1  0.619129  0.862832  0.531094  1
  H  H148  1  0.994800  0.891901  0.512575  1
  H  H149  1  0.328133  0.558568  0.512575  1
  H  H150  1  0.661466  0.225235  0.512575  1
  H  H151  1  0.910124  0.167096  0.549612  1
  H  H152  1  0.952462  0.529499  0.531094  1
  H  H153  1  0.285795  0.196166  0.531094  1
  H  H154  1  0.300957  0.146890  0.524462  1
  H  H155  1  0.634290  0.813556  0.524462  1
  H  H156  1  0.676628  0.175959  0.505943  1
  H  H157  1  0.925286  0.117820  0.542980  1
  H  H158  1  0.258619  0.784487  0.542980  1
  H  H159  1  0.591953  0.451154  0.542980  1
  H  H160  1  0.967624  0.480223  0.524462  1
  H  H161  1  0.009961  0.842625  0.505943  1
  H  H162  1  0.343295  0.509292  0.505943  1
  H  H163  1  0.140297  0.044034  0.521834  1
  H  H164  1  0.473631  0.710700  0.521834  1
  H  H165  1  0.515968  0.073103  0.503316  1
  H  H166  1  0.764626  0.014964  0.540353  1
  H  H167  1  0.097960  0.681631  0.540353  1
  H  H168  1  0.431293  0.348298  0.540353  1
  H  H169  1  0.806964  0.377367  0.521834  1
  H  H170  1  0.849302  0.739769  0.503316  1
  H  H171  1  0.182635  0.406436  0.503316  1
  H  H172  1  0.155459  0.994757  0.515203  1
  H  H173  1  0.488793  0.661424  0.515203  1
  H  H174  1  0.404117  0.936619  0.552240  1
  H  H175  1  0.779788  0.965688  0.533721  1
  H  H176  1  0.113122  0.632355  0.533721  1
  H  H177  1  0.446455  0.299022  0.533721  1
  H  H178  1  0.822126  0.328091  0.515203  1
  H  H179  1  0.737451  0.603286  0.552240  1
  H  H180  1  0.070784  0.269952  0.552240  1
  H  H181  1  0.116445  0.746555  0.605168  1
  H  H182  1  0.449778  0.413222  0.605168  1
  H  H183  1  0.492116  0.775625  0.586649  1
  H  H184  1  0.867787  0.804694  0.568131  1
  H  H185  1  0.201120  0.471360  0.568131  1
  H  H186  1  0.534453  0.138027  0.568131  1
  H  H187  1  0.783111  0.079889  0.605168  1
  H  H188  1  0.825449  0.442291  0.586649  1
  H  H189  1  0.158782  0.108958  0.586649  1
  H  H190  1  0.173944  0.059682  0.580017  1
  H  H191  1  0.507277  0.726349  0.580017  1
  H  H192  1  0.549615  0.088751  0.561499  1
  H  H193  1  0.798273  0.030613  0.598536  1
  H  H194  1  0.131606  0.697279  0.598536  1
  H  H195  1  0.464940  0.363946  0.598536  1
  H  H196  1  0.840611  0.393015  0.580017  1
  H  H197  1  0.882948  0.755418  0.561499  1
  H  H198  1  0.216282  0.422084  0.561499  1
  H  H199  1  0.013284  0.956826  0.577390  1
  H  H200  1  0.346618  0.623493  0.577390  1
  H  H201  1  0.388955  0.985895  0.558871  1
  H  H202  1  0.637613  0.927757  0.595909  1
  H  H203  1  0.970947  0.594423  0.595909  1
  H  H204  1  0.304280  0.261090  0.595909  1
  H  H205  1  0.679951  0.290159  0.577390  1
  H  H206  1  0.722289  0.652562  0.558871  1
  H  H207  1  0.055622  0.319228  0.558871  1
  H  H208  1  0.028446  0.907550  0.570758  1
  H  H209  1  0.361780  0.574217  0.570758  1
  H  H210  1  0.277104  0.849411  0.607795  1
  H  H211  1  0.652775  0.878481  0.589277  1
  H  H212  1  0.986109  0.545147  0.589277  1
  H  H213  1  0.319442  0.211814  0.589277  1
  H  H214  1  0.695113  0.240883  0.570758  1
  H  H215  1  0.610438  0.516078  0.607795  1
  H  H216  1  0.943771  0.182745  0.607795  1
  H  H217  1  0.989431  0.659348  0.660723  1
  H  H218  1  0.322765  0.326014  0.660723  1
  H  H219  1  0.365102  0.688417  0.642205  1
  H  H220  1  0.740774  0.717486  0.623686  1
  H  H221  1  0.074107  0.384153  0.623686  1
  H  H222  1  0.407440  0.050820  0.623686  1
  H  H223  1  0.656098  0.992681  0.660723  1
  H  H224  1  0.698436  0.355084  0.642205  1
  H  H225  1  0.031769  0.021750  0.642205  1
  H  H226  1  0.046931  0.972474  0.635573  1
  H  H227  1  0.380264  0.639141  0.635573  1
  H  H228  1  0.422602  0.001543  0.617054  1
  H  H229  1  0.671260  0.943405  0.654092  1
  H  H230  1  0.004593  0.610072  0.654092  1
  H  H231  1  0.337927  0.276738  0.654092  1
  H  H232  1  0.713598  0.305808  0.635573  1
  H  H233  1  0.755935  0.668210  0.617054  1
  H  H234  1  0.089269  0.334877  0.617054  1
  H  H235  1  0.886271  0.869618  0.632946  1
  H  H236  1  0.219605  0.536285  0.632946  1
  H  H237  1  0.261942  0.898687  0.614427  1
  H  H238  1  0.510600  0.840549  0.651464  1
  H  H239  1  0.843934  0.507216  0.651464  1
  H  H240  1  0.177267  0.173882  0.651464  1
  H  H241  1  0.552938  0.202952  0.632946  1
  H  H242  1  0.595276  0.565354  0.614427  1
  H  H243  1  0.928609  0.232021  0.614427  1
  H  H244  1  0.901433  0.820342  0.626314  1
  H  H245  1  0.234767  0.487009  0.626314  1
  H  H246  1  0.150091  0.762204  0.663351  1
  H  H247  1  0.525762  0.791273  0.644832  1
  H  H248  1  0.859096  0.457940  0.644832  1
  H  H249  1  0.192429  0.124606  0.644832  1
  H  H250  1  0.568100  0.153676  0.626314  1
  H  H251  1  0.483424  0.428870  0.663351  1
  H  H252  1  0.816758  0.095537  0.663351  1
  H  H253  1  0.862418  0.572140  0.716279  1
  H  H254  1  0.195752  0.238807  0.716279  1
  H  H255  1  0.238089  0.601209  0.697760  1
  H  H256  1  0.613760  0.630279  0.679242  1
  H  H257  1  0.947094  0.296945  0.679242  1
  H  H258  1  0.280427  0.963612  0.679242  1
  H  H259  1  0.529085  0.905473  0.716279  1
  H  H260  1  0.571423  0.267876  0.697760  1
  H  H261  1  0.904756  0.934543  0.697760  1
  H  H262  1  0.919918  0.885267  0.691129  1
  H  H263  1  0.253251  0.551933  0.691129  1
  H  H264  1  0.295589  0.914336  0.672610  1
  H  H265  1  0.544247  0.856197  0.709647  1
  H  H266  1  0.877580  0.522864  0.709647  1
  H  H267  1  0.210914  0.189531  0.709647  1
  H  H268  1  0.586585  0.218600  0.691129  1
  H  H269  1  0.628922  0.581003  0.672610  1
  H  H270  1  0.962256  0.247669  0.672610  1
  H  H271  1  0.759258  0.782411  0.688501  1
  H  H272  1  0.092592  0.449077  0.688501  1
  H  H273  1  0.134929  0.811480  0.669983  1
  H  H274  1  0.383587  0.753341  0.707020  1
  H  H275  1  0.716921  0.420008  0.707020  1
  H  H276  1  0.050254  0.086675  0.707020  1
  H  H277  1  0.425925  0.115744  0.688501  1
  H  H278  1  0.468263  0.478147  0.669983  1
  H  H279  1  0.801596  0.144813  0.669983  1
  H  H280  1  0.774420  0.733135  0.681869  1
  H  H281  1  0.107753  0.399801  0.681869  1
  H  H282  1  0.023078  0.674996  0.718906  1
  H  H283  1  0.398749  0.704065  0.700388  1
  H  H284  1  0.732082  0.370732  0.700388  1
  H  H285  1  0.065416  0.037399  0.700388  1
  H  H286  1  0.441087  0.066468  0.681869  1
  H  H287  1  0.356411  0.341663  0.718906  1
  H  H288  1  0.689745  0.008330  0.718906  1
