# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.98279873
_cell_length_b   6.60971520
_cell_length_c   59.19079457
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.01598327
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4587.15827045
_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  0.689176  1.036832  0.165574  1
  H  H2  1  0.498569  1.089605  0.195797  1
  H  H3  1  0.332066  0.105676  0.190874  1
  H  H4  1  0.334777  0.754014  0.179058  1
  H  H5  1  0.171301  0.140290  0.185375  1
  H  H6  1  0.155319  0.831056  0.209409  1
  H  H7  1  0.997323  1.092555  0.196474  1
  H  H8  1  1.003600  0.741684  0.183444  1
  H  H9  1  1.015709  0.406910  0.173269  1
  H  H10  1  0.835980  0.118829  0.191058  1
  H  H11  1  0.840297  0.768836  0.177891  1
  H  H12  1  0.826322  0.462159  0.201631  1
  H  H13  1  0.667942  0.722135  0.189034  1
  H  H14  1  0.673304  0.368361  0.176044  1
  H  H15  1  0.504309  0.741904  0.183331  1
  H  H16  1  0.506559  0.387917  0.171641  1
  H  H17  1  0.329631  0.461447  0.203417  1
  H  H18  1  0.163428  0.484432  0.198905  1
  H  H19  1  0.660518  1.076172  0.202668  1
  H  H20  1  0.473367  0.150204  0.233218  1
  H  H21  1  0.308922  0.163925  0.228482  1
  H  H22  1  0.319533  0.815467  0.216945  1
  H  H23  1  0.146041  0.183524  0.223399  1
  H  H24  1  0.128590  0.887186  0.247522  1
  H  H25  1  0.972591  0.150000  0.233499  1
  H  H26  1  0.980402  0.796086  0.220903  1
  H  H27  1  0.988351  0.448524  0.210434  1
  H  H28  1  0.809614  0.170076  0.228530  1
  H  H29  1  0.817896  0.817015  0.215873  1
  H  H30  1  0.801241  0.518692  0.239721  1
  H  H31  1  0.645312  0.781896  0.226030  1
  H  H32  1  0.653869  0.428284  0.213460  1
  H  H33  1  0.482200  0.797224  0.221150  1
  H  H34  1  0.491257  0.444814  0.209280  1
  H  H35  1  0.299826  0.516559  0.240770  1
  H  H36  1  0.137565  0.538623  0.236195  1
  H  H37  1  0.635264  0.136143  0.238757  1
  H  H38  1  0.445156  0.209342  0.270216  1
  H  H39  1  0.281245  0.222972  0.265589  1
  H  H40  1  0.291137  0.872417  0.253685  1
  H  H41  1  0.118753  0.241096  0.260743  1
  H  H42  1  0.100740  0.945958  0.285178  1
  H  H43  1  0.945440  0.208975  0.270379  1
  H  H44  1  0.954312  0.854588  0.257819  1
  H  H45  1  0.963086  0.505371  0.246582  1
  H  H46  1  0.782075  0.226425  0.265662  1
  H  H47  1  0.791686  0.873476  0.253144  1
  H  H48  1  0.773187  0.576690  0.277310  1
  H  H49  1  0.617404  0.840372  0.262636  1
  H  H50  1  0.627096  0.487619  0.250187  1
  H  H51  1  0.453515  0.854986  0.257948  1
  H  H52  1  0.462838  0.502283  0.245815  1
  H  H53  1  0.272453  0.576488  0.277980  1
  H  H54  1  0.109970  0.595479  0.273424  1
  H  H55  1  0.607626  0.193567  0.275165  1
  H  H56  1  0.417863  0.269374  0.307203  1
  H  H57  1  0.254106  0.283114  0.302709  1
  H  H58  1  0.263721  0.931405  0.290621  1
  H  H59  1  0.091196  0.299846  0.298049  1
  H  H60  1  0.073134  1.006139  0.322596  1
  H  H61  1  0.917919  0.268430  0.307305  1
  H  H62  1  0.926881  0.914019  0.294785  1
  H  H63  1  0.935882  0.562653  0.283095  1
  H  H64  1  0.754426  0.285178  0.302735  1
  H  H65  1  0.763864  0.931680  0.290273  1
  H  H66  1  0.745563  0.637191  0.314674  1
  H  H67  1  0.590181  0.900022  0.299432  1
  H  H68  1  0.599614  0.546834  0.287026  1
  H  H69  1  0.426530  0.915176  0.294890  1
  H  H70  1  0.435632  0.561800  0.282626  1
  H  H71  1  0.245138  0.636876  0.315095  1
  H  H72  1  0.082247  0.654234  0.310592  1
  H  H73  1  0.580736  0.253656  0.311857  1
  H  H74  1  0.390518  0.329967  0.344152  1
  H  H75  1  0.226903  0.344005  0.339775  1
  H  H76  1  0.236292  0.991306  0.327586  1
  H  H77  1  0.063758  0.360097  0.335238  1
  H  H78  1  0.045735  1.067194  0.359838  1
  H  H79  1  0.890569  0.329224  0.344246  1
  H  H80  1  0.899660  0.974848  0.331786  1
  H  H81  1  0.908572  0.622325  0.319828  1
  H  H82  1  0.727077  0.345570  0.339784  1
  H  H83  1  0.736414  0.991755  0.327360  1
  H  H84  1  0.718159  0.698339  0.351872  1
  H  H85  1  0.562970  0.960752  0.336300  1
  H  H86  1  0.572293  0.607245  0.323932  1
  H  H87  1  0.399410  0.975915  0.331840  1
  H  H88  1  0.408497  0.622271  0.319531  1
  H  H89  1  0.217877  0.697869  0.352143  1
  H  H90  1  0.054719  0.714297  0.347693  1
  H  H91  1  0.553636  0.314504  0.348702  1
  H  H92  1  0.363178  0.390926  0.381095  1
  H  H93  1  0.199726  0.405382  0.376801  1
  H  H94  1  0.208914  1.051989  0.364547  1
  H  H95  1  1.036401  0.421016  0.372335  1
  H  H96  1  1.018360  0.128323  0.396925  1
  H  H97  1  0.863183  0.390330  0.381209  1
  H  H98  1  0.872383  1.036210  0.368786  1
  H  H99  1  0.881351  0.683211  0.356699  1
  H  H100  1  0.699704  0.406477  0.376802  1
  H  H101  1  0.708972  1.052528  0.364391  1
  H  H102  1  0.690739  0.759547  0.388931  1
  H  H103  1  0.535669  1.021799  0.373240  1
  H  H104  1  0.544903  0.668076  0.360871  1
  H  H105  1  0.372219  1.037128  0.368802  1
  H  H106  1  0.381304  0.683327  0.356473  1
  H  H107  1  0.190639  0.759214  0.389147  1
  H  H108  1  1.027259  0.774959  0.384735  1
  H  H109  1  0.526367  0.375596  0.385666  1
  H  H110  1  0.335813  0.451931  0.418044  1
  H  H111  1  0.172508  0.466792  0.413789  1
  H  H112  1  0.181549  0.112994  0.401497  1
  H  H113  1  1.009058  0.482120  0.409351  1
  H  H114  1  0.991091  0.189416  0.433890  1
  H  H115  1  0.835755  0.451391  0.418200  1
  H  H116  1  0.845022  1.097443  0.405789  1
  H  H117  1  0.853988  0.744372  0.393660  1
  H  H118  1  0.672344  0.467710  0.413806  1
  H  H119  1  0.681544  0.113590  0.401383  1
  H  H120  1  0.663376  0.820708  0.425893  1
  H  H121  1  0.508326  1.082904  0.410256  1
  H  H122  1  0.517468  0.728961  0.397857  1
  H  H123  1  0.345001  1.098537  0.405791  1
  H  H124  1  0.354088  0.744706  0.393444  1
  H  H125  1  0.163423  0.820593  0.426119  1
  H  H126  1  0.999824  0.835844  0.421721  1
  H  H127  1  0.498992  0.436726  0.422754  1
  H  H128  1  0.308434  0.512614  0.455005  1
  H  H129  1  0.145317  0.528004  0.450751  1
  H  H130  1  0.154209  0.173953  0.438440  1
  H  H131  1  0.981757  0.543168  0.446292  1
  H  H132  1  0.963991  0.250264  0.470734  1
  H  H133  1  0.808313  0.512165  0.455231  1
  H  H134  1  0.817650  0.158350  0.442808  1
  H  H135  1  0.826568  0.805581  0.430720  1
  H  H136  1  0.645067  0.529071  0.450806  1
  H  H137  1  0.654157  0.174695  0.438346  1
  H  H138  1  0.636155  0.881594  0.462763  1
  H  H139  1  0.480969  0.143823  0.447353  1
  H  H140  1  0.490008  0.789623  0.434898  1
  H  H141  1  0.317824  0.159915  0.442817  1
  H  H142  1  0.326850  0.806051  0.430448  1
  H  H143  1  0.136230  0.881648  0.463060  1
  H  H144  1  0.972433  0.896675  0.458660  1
  H  H145  1  0.471593  0.497781  0.459996  1
  H  H146  1  0.281006  0.572515  0.491970  1
  H  H147  1  0.118197  0.588743  0.487702  1
  H  H148  1  0.126864  0.234545  0.475388  1
  H  H149  1  0.954545  0.603897  0.483160  1
  H  H150  1  0.937100  0.310352  0.507427  1
  H  H151  1  0.780863  0.572239  0.492319  1
  H  H152  1  0.790301  0.218741  0.479857  1
  H  H153  1  0.799164  0.866728  0.467917  1
  H  H154  1  0.617846  0.589901  0.487807  1
  H  H155  1  0.626808  0.235489  0.475287  1
  H  H156  1  0.608845  0.941267  0.499496  1
  H  H157  1  0.453531  0.204074  0.484543  1
  H  H158  1  0.462480  0.849686  0.472000  1
  H  H159  1  0.290621  0.220805  0.479883  1
  H  H160  1  0.299589  0.867044  0.467497  1
  H  H161  1  0.109095  0.942120  0.499966  1
  H  H162  1  0.945113  0.957086  0.495566  1
  H  H163  1  0.443987  0.557962  0.497414  1
  H  H164  1  0.253590  0.631503  0.528906  1
  H  H165  1  0.091212  0.648933  0.524643  1
  H  H166  1  0.099571  0.294577  0.512376  1
  H  H167  1  0.927323  0.663548  0.519956  1
  H  H168  1  0.909463  0.367777  0.543835  1
  H  H169  1  0.753041  0.630444  0.529448  1
  H  H170  1  0.762652  0.277495  0.516929  1
  H  H171  1  0.771540  0.927229  0.505281  1
  H  H172  1  0.590415  0.649331  0.524773  1
  H  H173  1  0.599287  0.294945  0.512213  1
  H  H174  1  0.581641  0.998549  0.536010  1
  H  H175  1  0.425974  0.262824  0.521849  1
  H  H176  1  0.434756  0.908441  0.509167  1
  H  H177  1  0.263482  0.280947  0.517003  1
  H  H178  1  0.272274  0.927431  0.504611  1
  H  H179  1  0.081889  1.001637  0.536777  1
  H  H180  1  0.917630  1.016300  0.532404  1
  H  H181  1  0.416137  0.616734  0.535070  1
  H  H182  1  0.225194  0.688453  0.565646  1
  H  H183  1  0.062527  0.706695  0.561441  1
  H  H184  1  0.071359  0.353716  0.549374  1
  H  H185  1  0.899415  0.722024  0.556562  1
  H  H186  1  0.884209  0.427747  0.579924  1
  H  H187  1  0.726831  0.686905  0.566719  1
  H  H188  1  0.735113  0.333844  0.554062  1
  H  H189  1  0.743486  0.985228  0.542870  1
  H  H190  1  0.564325  0.707833  0.561689  1
  H  H191  1  0.572136  0.353919  0.549092  1
  H  H192  1  0.556376  1.055396  0.572158  1
  H  H193  1  0.398686  0.320396  0.559193  1
  H  H194  1  0.407162  0.965296  0.546397  1
  H  H195  1  0.235805  0.339995  0.554110  1
  H  H196  1  0.244901  0.987361  0.541822  1
  H  H197  1  0.053470  1.059105  0.573311  1
  H  H198  1  0.890858  1.075636  0.569132  1
  H  H199  1  0.389408  0.672863  0.573182  1
  H  H200  1  0.209950  0.749906  0.603533  1
  H  H201  1  0.040418  0.762016  0.599261  1
  H  H202  1  0.046157  0.414315  0.586795  1
  H  H203  1  0.876785  0.781784  0.593558  1
  H  H204  1  0.855551  0.467088  0.617018  1
  H  H205  1  0.704430  0.735083  0.604700  1
  H  H206  1  0.708746  0.385091  0.591534  1
  H  H207  1  0.718405  1.041761  0.580961  1
  H  H208  1  0.541127  0.762236  0.599148  1
  H  H209  1  0.547404  0.411364  0.586118  1
  H  H210  1  0.529018  1.097010  0.609323  1
  H  H211  1  0.373426  0.363630  0.597216  1
  H  H212  1  0.381299  1.019488  0.583687  1
  H  H213  1  0.212661  0.398243  0.591718  1
  H  H214  1  0.215096  1.042472  0.579175  1
  H  H215  1  0.038168  0.116003  0.610950  1
  H  H216  1  0.871423  0.135558  0.606548  1
