# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.71840103
_cell_length_b   11.71508071
_cell_length_c   47.42011300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H324
_cell_volume   6194.10537526
_cell_formula_units_Z   162
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  0.630567  0.963519  0.298292  1
  H  H2  1  0.961964  0.630173  0.298352  1
  H  H3  1  0.011509  0.011712  0.280979  1
  H  H4  1  0.255819  0.922787  0.316373  1
  H  H5  1  0.589430  0.588983  0.316382  1
  H  H6  1  0.922729  0.256476  0.316283  1
  H  H7  1  0.295415  0.295506  0.298671  1
  H  H8  1  0.340443  0.673614  0.281722  1
  H  H9  1  0.673433  0.342740  0.281760  1
  H  H10  1  0.841808  0.174953  0.281642  1
  H  H11  1  0.173361  0.841090  0.281915  1
  H  H12  1  0.089677  0.089934  0.315879  1
  H  H13  1  0.463344  0.129121  0.298477  1
  H  H14  1  0.795766  0.796363  0.298429  1
  H  H15  1  0.129145  0.463470  0.298521  1
  H  H16  1  0.508120  0.506866  0.281882  1
  H  H17  1  0.423075  0.756323  0.316283  1
  H  H18  1  0.755045  0.423704  0.316401  1
  H  H19  1  0.651890  0.152136  0.290211  1
  H  H20  1  0.984368  0.819282  0.290260  1
  H  H21  1  0.902821  0.069365  0.324510  1
  H  H22  1  0.275341  0.105162  0.305022  1
  H  H23  1  0.610442  0.778127  0.308372  1
  H  H24  1  0.943611  0.445976  0.308818  1
  H  H25  1  0.317725  0.484356  0.290368  1
  H  H26  1  0.360811  0.869122  0.273526  1
  H  H27  1  0.568745  0.402433  0.324715  1
  H  H28  1  0.819443  0.985449  0.290167  1
  H  H29  1  0.150857  0.651547  0.290359  1
  H  H30  1  0.068699  0.903133  0.324553  1
  H  H31  1  0.445675  0.942929  0.308375  1
  H  H32  1  0.770758  0.605518  0.302718  1
  H  H33  1  0.105625  0.275505  0.305288  1
  H  H34  1  0.484080  0.317649  0.290428  1
  H  H35  1  0.537119  0.693552  0.273464  1
  H  H36  1  0.863619  0.368673  0.273834  1
  H  H37  1  0.510247  0.843664  0.349949  1
  H  H38  1  0.842391  0.511907  0.349163  1
  H  H39  1  0.882342  0.882771  0.332818  1
  H  H40  1  0.137381  0.804557  0.365998  1
  H  H41  1  0.470439  0.471080  0.366090  1
  H  H42  1  0.804287  0.137991  0.366019  1
  H  H43  1  0.177350  0.177680  0.348525  1
  H  H44  1  0.216265  0.549718  0.332794  1
  H  H45  1  0.549394  0.216134  0.332783  1
  H  H46  1  0.716354  0.049948  0.332721  1
  H  H47  1  0.049026  0.716496  0.332726  1
  H  H48  1  0.970600  0.971008  0.366098  1
  H  H49  1  0.343364  0.011096  0.349245  1
  H  H50  1  0.677781  0.676407  0.348962  1
  H  H51  1  0.011003  0.343733  0.349441  1
  H  H52  1  0.382302  0.382718  0.332811  1
  H  H53  1  0.304231  0.637878  0.366045  1
  H  H54  1  0.637564  0.304237  0.366089  1
  H  H55  1  0.530886  0.030382  0.341318  1
  H  H56  1  0.861528  0.695124  0.340197  1
  H  H57  1  0.784635  0.952199  0.374509  1
  H  H58  1  0.156854  0.991146  0.357778  1
  H  H59  1  0.490559  0.657307  0.357832  1
  H  H60  1  0.823962  0.324398  0.357789  1
  H  H61  1  0.195543  0.363299  0.340663  1
  H  H62  1  0.236085  0.736171  0.324510  1
  H  H63  1  0.451165  0.284725  0.374212  1
  H  H64  1  0.696609  0.864555  0.341391  1
  H  H65  1  0.030933  0.531428  0.341452  1
  H  H66  1  0.950873  0.784509  0.374162  1
  H  H67  1  0.323710  0.824207  0.357804  1
  H  H68  1  0.656725  0.490508  0.358009  1
  H  H69  1  0.990756  0.157325  0.357751  1
  H  H70  1  0.362900  0.195738  0.340611  1
  H  H71  1  0.402526  0.569646  0.324503  1
  H  H72  1  0.736061  0.236445  0.324491  1
  H  H73  1  0.392614  0.726332  0.399331  1
  H  H74  1  0.725937  0.392676  0.399428  1
  H  H75  1  0.765265  0.765278  0.382480  1
  H  H76  1  0.019936  0.686998  0.415922  1
  H  H77  1  0.353204  0.353568  0.415880  1
  H  H78  1  0.686668  0.020464  0.416053  1
  H  H79  1  0.059123  0.059518  0.399347  1
  H  H80  1  0.098898  0.432089  0.382670  1
  H  H81  1  0.431670  0.098966  0.382568  1
  H  H82  1  0.598374  0.932468  0.382890  1
  H  H83  1  0.931642  0.599013  0.382491  1
  H  H84  1  0.853349  0.853606  0.415937  1
  H  H85  1  0.225747  0.893019  0.399309  1
  H  H86  1  0.558950  0.559463  0.399452  1
  H  H87  1  0.892706  0.226320  0.399296  1
  H  H88  1  0.265101  0.265371  0.382317  1
  H  H89  1  0.186710  0.520333  0.415971  1
  H  H90  1  0.519903  0.187028  0.415946  1
  H  H91  1  0.411834  0.912905  0.391017  1
  H  H92  1  0.745425  0.579176  0.390915  1
  H  H93  1  0.667177  0.833962  0.424280  1
  H  H94  1  0.039501  0.873147  0.407596  1
  H  H95  1  0.372754  0.539933  0.407647  1
  H  H96  1  0.706384  0.206588  0.407677  1
  H  H97  1  0.079257  0.245624  0.390762  1
  H  H98  1  0.118577  0.618722  0.374461  1
  H  H99  1  0.333551  0.167454  0.424178  1
  H  H100  1  0.579333  0.745474  0.390964  1
  H  H101  1  0.912246  0.412806  0.390811  1
  H  H102  1  0.833716  0.667358  0.424219  1
  H  H103  1  0.206374  0.706777  0.407675  1
  H  H104  1  0.539492  0.373160  0.407631  1
  H  H105  1  0.872997  0.040127  0.407685  1
  H  H106  1  0.245229  0.079605  0.390727  1
  H  H107  1  0.284439  0.451532  0.374244  1
  H  H108  1  0.618228  0.118461  0.374404  1
  H  H109  1  0.274841  0.608563  0.449294  1
  H  H110  1  0.608179  0.275218  0.449287  1
  H  H111  1  0.647479  0.647711  0.432623  1
  H  H112  1  0.902342  0.569319  0.465889  1
  H  H113  1  0.235628  0.236001  0.465884  1
  H  H114  1  0.568984  0.902678  0.465917  1
  H  H115  1  0.941545  0.941874  0.449272  1
  H  H116  1  0.980875  0.314491  0.432504  1
  H  H117  1  0.313917  0.981309  0.432563  1
  H  H118  1  0.480812  0.814488  0.432590  1
  H  H119  1  0.814184  0.481098  0.432568  1
  H  H120  1  0.735681  0.735966  0.465913  1
  H  H121  1  0.108171  0.775215  0.449272  1
  H  H122  1  0.441473  0.441844  0.449272  1
  H  H123  1  0.774902  0.108582  0.449312  1
  H  H124  1  0.147426  0.147804  0.432531  1
  H  H125  1  0.069001  0.402666  0.465871  1
  H  H126  1  0.402229  0.069401  0.465906  1
  H  H127  1  0.294482  0.794918  0.440962  1
  H  H128  1  0.627805  0.461446  0.440987  1
  H  H129  1  0.549360  0.716404  0.474249  1
  H  H130  1  0.921924  0.755574  0.457584  1
  H  H131  1  0.255243  0.422231  0.457579  1
  H  H132  1  0.588541  0.088996  0.457621  1
  H  H133  1  0.961184  0.128240  0.440960  1
  H  H134  1  0.000364  0.500781  0.424205  1
  H  H135  1  0.216004  0.049757  0.474226  1
  H  H136  1  0.461055  0.628199  0.440988  1
  H  H137  1  0.794591  0.294797  0.440977  1
  H  H138  1  0.716073  0.549691  0.474242  1
  H  H139  1  0.088574  0.588931  0.457579  1
  H  H140  1  0.421845  0.255607  0.457579  1
  H  H141  1  0.755283  0.922249  0.457609  1
  H  H142  1  0.127769  0.961484  0.440944  1
  H  H143  1  0.167119  0.333935  0.424193  1
  H  H144  1  0.500235  0.000884  0.424317  1
  H  H145  1  0.157212  0.490881  0.499233  1
  H  H146  1  0.490498  0.157581  0.499246  1
  H  H147  1  0.529722  0.530093  0.482604  1
  H  H148  1  0.784646  0.451669  0.515873  1
  H  H149  1  0.117997  0.118321  0.515867  1
  H  H150  1  0.451301  0.785002  0.515889  1
  H  H151  1  0.823878  0.824203  0.499234  1
  H  H152  1  0.863115  0.196786  0.482601  1
  H  H153  1  0.196414  0.863441  0.482593  1
  H  H154  1  0.363068  0.696785  0.482608  1
  H  H155  1  0.696418  0.363438  0.482602  1
  H  H156  1  0.617949  0.618321  0.515874  1
  H  H157  1  0.990567  0.657525  0.499229  1
  H  H158  1  0.323852  0.324225  0.499242  1
  H  H159  1  0.657186  0.990903  0.499241  1
  H  H160  1  0.029764  0.030104  0.482585  1
  H  H161  1  0.951343  0.285014  0.515871  1
  H  H162  1  0.284650  0.951665  0.515882  1
  H  H163  1  0.176814  0.677146  0.490922  1
  H  H164  1  0.510101  0.343828  0.490930  1
  H  H165  1  0.431669  0.598675  0.524262  1
  H  H166  1  0.804278  0.637919  0.507544  1
  H  H167  1  0.137603  0.304631  0.507544  1
  H  H168  1  0.470913  0.971298  0.507557  1
  H  H169  1  0.843485  0.010489  0.490922  1
  H  H170  1  0.882771  0.383055  0.474221  1
  H  H171  1  0.098377  0.931997  0.524240  1
  H  H172  1  0.343461  0.510475  0.490931  1
  H  H173  1  0.676787  0.177188  0.490931  1
  H  H174  1  0.598294  0.432052  0.524254  1
  H  H175  1  0.970964  0.471279  0.507545  1
  H  H176  1  0.304251  0.137960  0.507553  1
  H  H177  1  0.637580  0.804617  0.507553  1
  H  H178  1  0.010151  0.843808  0.490918  1
  H  H179  1  0.049395  0.216431  0.474213  1
  H  H180  1  0.382687  0.883109  0.474235  1
  H  H181  1  0.039591  0.373262  0.549203  1
  H  H182  1  0.372894  0.039891  0.549203  1
  H  H183  1  0.412063  0.412440  0.532604  1
  H  H184  1  0.666881  0.334009  0.565907  1
  H  H185  1  1.000253  1.000619  0.565884  1
  H  H186  1  0.333639  0.667303  0.565944  1
  H  H187  1  0.706163  0.706524  0.549163  1
  H  H188  1  0.745383  0.079141  0.532562  1
  H  H189  1  0.078835  0.745706  0.532569  1
  H  H190  1  0.245436  0.579105  0.532591  1
  H  H191  1  0.578723  0.245788  0.532586  1
  H  H192  1  0.500190  0.500615  0.565971  1
  H  H193  1  0.872886  0.539889  0.549188  1
  H  H194  1  0.206223  0.206543  0.549181  1
  H  H195  1  0.539520  0.873233  0.549203  1
  H  H196  1  0.912081  0.912429  0.532557  1
  H  H197  1  0.833585  0.167395  0.565852  1
  H  H198  1  0.167148  0.833797  0.565912  1
  H  H199  1  0.059220  0.559499  0.540896  1
  H  H200  1  0.392490  0.226176  0.540896  1
  H  H201  1  0.313945  0.481171  0.574282  1
  H  H202  1  0.686473  0.520309  0.557498  1
  H  H203  1  0.020010  0.186907  0.557487  1
  H  H204  1  0.353296  0.853623  0.557531  1
  H  H205  1  0.725782  0.892857  0.540865  1
  H  H206  1  0.764991  0.265415  0.524233  1
  H  H207  1  0.980830  0.814223  0.574158  1
  H  H208  1  0.225821  0.392876  0.540896  1
  H  H209  1  0.559140  0.059532  0.540891  1
  H  H210  1  0.480701  0.314326  0.574270  1
  H  H211  1  0.853260  0.353661  0.557488  1
  H  H212  1  0.186582  0.020189  0.557512  1
  H  H213  1  0.519881  0.686867  0.557515  1
  H  H214  1  0.892524  0.726111  0.540854  1
  H  H215  1  0.931705  0.098703  0.524226  1
  H  H216  1  0.265060  0.765350  0.524249  1
  H  H217  1  0.922115  0.255644  0.599023  1
  H  H218  1  0.255317  0.922087  0.599166  1
  H  H219  1  0.294355  0.294774  0.582504  1
  H  H220  1  0.549422  0.216094  0.615984  1
  H  H221  1  0.882691  0.882639  0.615585  1
  H  H222  1  0.215963  0.549736  0.616158  1
  H  H223  1  0.588359  0.588786  0.599179  1
  H  H224  1  0.627716  0.961501  0.582538  1
  H  H225  1  0.961162  0.628078  0.582529  1
  H  H226  1  0.127860  0.461539  0.582595  1
  H  H227  1  0.461128  0.128108  0.582553  1
  H  H228  1  0.382167  0.383017  0.615805  1
  H  H229  1  0.755128  0.422430  0.599047  1
  H  H230  1  0.088450  0.088775  0.599144  1
  H  H231  1  0.421942  0.755588  0.599127  1
  H  H232  1  0.794397  0.794642  0.582422  1
  H  H233  1  0.715799  0.049829  0.615995  1
  H  H234  1  0.049395  0.716140  0.615907  1
  H  H235  1  0.941573  0.441946  0.590844  1
  H  H236  1  0.274691  0.108330  0.590800  1
  H  H237  1  0.196626  0.363574  0.624231  1
  H  H238  1  0.568819  0.402300  0.607663  1
  H  H239  1  0.901731  0.069633  0.607511  1
  H  H240  1  0.235836  0.735501  0.607748  1
  H  H241  1  0.608068  0.774980  0.590790  1
  H  H242  1  0.647349  0.147748  0.574256  1
  H  H243  1  0.862836  0.696646  0.624071  1
  H  H244  1  0.108311  0.275174  0.590828  1
  H  H245  1  0.441564  0.941959  0.590879  1
  H  H246  1  0.362488  0.196384  0.624014  1
  H  H247  1  0.735639  0.235931  0.607560  1
  H  H248  1  0.069230  0.902202  0.607458  1
  H  H249  1  0.401807  0.569483  0.607712  1
  H  H250  1  0.774681  0.608519  0.590798  1
  H  H251  1  0.813888  0.981145  0.574195  1
  H  H252  1  0.147513  0.647652  0.574297  1
  H  H253  1  0.803284  0.138699  0.649513  1
  H  H254  1  0.137700  0.804011  0.649230  1
  H  H255  1  0.176834  0.177229  0.632430  1
  H  H256  1  0.432038  0.098611  0.665749  1
  H  H257  1  0.764710  0.765159  0.665754  1
  H  H258  1  0.098762  0.432388  0.665663  1
  H  H259  1  0.470062  0.471373  0.649034  1
  H  H260  1  0.510464  0.844099  0.632377  1
  H  H261  1  0.843500  0.510869  0.632386  1
  H  H262  1  0.010626  0.344027  0.632385  1
  H  H263  1  0.343684  0.010549  0.632477  1
  H  H264  1  0.264799  0.265389  0.665681  1
  H  H265  1  0.638674  0.303200  0.649312  1
  H  H266  1  0.970818  0.971442  0.648526  1
  H  H267  1  0.303715  0.637427  0.649950  1
  H  H268  1  0.676778  0.677115  0.632456  1
  H  H269  1  0.598722  0.932336  0.665657  1
  H  H270  1  0.931671  0.598972  0.665692  1
  H  H271  1  0.824340  0.324599  0.640466  1
  H  H272  1  0.157354  0.990900  0.640671  1
  H  H273  1  0.078539  0.245460  0.673972  1
  H  H274  1  0.450131  0.283678  0.657023  1
  H  H275  1  0.784456  0.950552  0.657084  1
  H  H276  1  0.118165  0.619369  0.657864  1
  H  H277  1  0.490308  0.657781  0.640724  1
  H  H278  1  0.530191  0.030597  0.624313  1
  H  H279  1  0.745003  0.578661  0.673984  1
  H  H280  1  0.990506  0.157799  0.640643  1
  H  H281  1  0.324211  0.823961  0.640697  1
  H  H282  1  0.244979  0.078935  0.673965  1
  H  H283  1  0.619537  0.119983  0.658278  1
  H  H284  1  0.950179  0.784725  0.657157  1
  H  H285  1  0.285522  0.451808  0.657812  1
  H  H286  1  0.657103  0.490708  0.640686  1
  H  H287  1  0.696429  0.862907  0.623966  1
  H  H288  1  0.029900  0.530382  0.624263  1
  H  H289  1  0.685299  0.018743  0.700046  1
  H  H290  1  0.017720  0.685986  0.699998  1
  H  H291  1  0.057990  0.058783  0.682192  1
  H  H292  1  0.307704  0.974017  0.716560  1
  H  H293  1  0.639257  0.640153  0.716833  1
  H  H294  1  0.972945  0.308241  0.716593  1
  H  H295  1  0.351920  0.351637  0.699954  1
  H  H296  1  0.391388  0.725173  0.682596  1
  H  H297  1  0.726020  0.391402  0.682074  1
  H  H298  1  0.891634  0.226124  0.682092  1
  H  H299  1  0.225246  0.892319  0.682102  1
  H  H300  1  0.140622  0.141492  0.716753  1
  H  H301  1  0.519101  0.184934  0.700123  1
  H  H302  1  0.850498  0.851588  0.700183  1
  H  H303  1  0.185650  0.519600  0.699804  1
  H  H304  1  0.558335  0.558631  0.682192  1
  H  H305  1  0.469555  0.803395  0.717496  1
  H  H306  1  0.807631  0.472366  0.716715  1
  H  H307  1  0.710307  0.209588  0.695757  1
  H  H308  1  0.035390  0.872178  0.690100  1
  H  H309  1  0.943945  0.121554  0.725011  1
  H  H310  1  0.330208  0.163560  0.708116  1
  H  H311  1  0.661621  0.829658  0.708308  1
  H  H312  1  0.996984  0.497458  0.708047  1
  H  H313  1  0.375439  0.539602  0.693187  1
  H  H314  1  0.412366  0.911973  0.673922  1
  H  H315  1  0.617445  0.446434  0.724641  1
  H  H316  1  0.870622  0.036979  0.690103  1
  H  H317  1  0.205724  0.709944  0.693453  1
  H  H318  1  0.120253  0.945985  0.724949  1
  H  H319  1  0.496697  0.995825  0.708215  1
  H  H320  1  0.829174  0.662971  0.708264  1
  H  H321  1  0.163340  0.330751  0.708107  1
  H  H322  1  0.537453  0.369131  0.689657  1
  H  H323  1  0.578244  0.745741  0.673965  1
  H  H324  1  0.912320  0.412673  0.673760  1
