# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99730985
_cell_length_b   24.33038051
_cell_length_c   47.32488728
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.99748690
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H324
_cell_volume   6904.45109917
_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  0.605959  0.195907  0.285434  1
  H  H2  1  0.681008  0.880845  0.319216  1
  H  H3  1  0.652589  0.540200  0.300469  1
  H  H4  1  0.939292  0.862574  0.285434  1
  H  H5  1  0.014341  0.547511  0.319216  1
  H  H6  1  0.272625  0.529241  0.285434  1
  H  H7  1  0.985922  0.206867  0.300469  1
  H  H8  1  0.347674  0.214178  0.319216  1
  H  H9  1  0.319255  0.873533  0.300469  1
  H  H10  1  0.598960  0.380492  0.320055  1
  H  H11  1  0.574657  0.041090  0.301618  1
  H  H12  1  0.532894  0.697904  0.286427  1
  H  H13  1  0.932293  0.047159  0.320055  1
  H  H14  1  0.907991  0.707756  0.301618  1
  H  H15  1  0.265627  0.713825  0.320055  1
  H  H16  1  0.866227  0.364570  0.286427  1
  H  H17  1  0.241324  0.374423  0.301618  1
  H  H18  1  0.199561  0.031237  0.286427  1
  H  H19  1  0.511371  0.447376  0.287476  1
  H  H20  1  0.570074  0.130880  0.321092  1
  H  H21  1  0.554418  0.792372  0.302035  1
  H  H22  1  0.844705  0.114043  0.287476  1
  H  H23  1  0.903408  0.797547  0.321092  1
  H  H24  1  0.178038  0.780710  0.287476  1
  H  H25  1  0.887752  0.459038  0.302035  1
  H  H26  1  0.236741  0.464213  0.321092  1
  H  H27  1  0.221085  0.125705  0.302035  1
  H  H28  1  0.613500  0.289807  0.301344  1
  H  H29  1  0.574284  0.946962  0.285936  1
  H  H30  1  0.637732  0.630893  0.319229  1
  H  H31  1  0.946834  0.956473  0.301344  1
  H  H32  1  0.907617  0.613629  0.285936  1
  H  H33  1  0.280167  0.623140  0.301344  1
  H  H34  1  0.971065  0.297560  0.319229  1
  H  H35  1  0.240950  0.280295  0.285936  1
  H  H36  1  0.304398  0.964227  0.319229  1
  H  H37  1  0.713046  0.221325  0.334068  1
  H  H38  1  0.767260  0.903625  0.366492  1
  H  H39  1  0.738059  0.562497  0.350494  1
  H  H40  1  0.046380  0.887992  0.334068  1
  H  H41  1  0.100593  0.570292  0.366492  1
  H  H42  1  0.379713  0.554659  0.334068  1
  H  H43  1  0.071393  0.229164  0.350494  1
  H  H44  1  0.433926  0.236959  0.366492  1
  H  H45  1  0.404726  0.895831  0.350494  1
  H  H46  1  0.683680  0.404079  0.367554  1
  H  H47  1  0.655058  0.062575  0.351742  1
  H  H48  1  0.628937  0.722629  0.335032  1
  H  H49  1  0.017014  0.070745  0.367554  1
  H  H50  1  0.988391  0.729242  0.351742  1
  H  H51  1  0.350347  0.737412  0.367554  1
  H  H52  1  0.962270  0.389295  0.335032  1
  H  H53  1  0.321725  0.395909  0.351742  1
  H  H54  1  0.295604  0.055962  0.335032  1
  H  H55  1  0.599020  0.472680  0.335605  1
  H  H56  1  0.646201  0.154525  0.368245  1
  H  H57  1  0.618998  0.813183  0.352393  1
  H  H58  1  0.932353  0.139347  0.335605  1
  H  H59  1  0.979534  0.821191  0.368245  1
  H  H60  1  0.265687  0.806013  0.335605  1
  H  H61  1  0.952332  0.479850  0.352393  1
  H  H62  1  0.312868  0.487858  0.368245  1
  H  H63  1  0.285665  0.146516  0.352393  1
  H  H64  1  0.693208  0.312307  0.351027  1
  H  H65  1  0.667321  0.972410  0.334559  1
  H  H66  1  0.721296  0.654149  0.366936  1
  H  H67  1  0.026542  0.978973  0.351027  1
  H  H68  1  1.000654  0.639077  0.334559  1
  H  H69  1  0.359875  0.645640  0.351027  1
  H  H70  1  0.054630  0.320816  0.366936  1
  H  H71  1  0.333988  0.305743  0.334559  1
  H  H72  1  0.387963  0.987483  0.366936  1
  H  H73  1  0.793666  0.244495  0.382618  1
  H  H74  1  0.847052  0.926574  0.414818  1
  H  H75  1  0.820401  0.585656  0.398629  1
  H  H76  1  0.127000  0.911161  0.382618  1
  H  H77  1  0.180386  0.593241  0.414818  1
  H  H78  1  0.460333  0.577828  0.382618  1
  H  H79  1  0.153734  0.252322  0.398629  1
  H  H80  1  0.513719  0.259907  0.414818  1
  H  H81  1  0.487067  0.918989  0.398629  1
  H  H82  1  0.764168  0.427194  0.415822  1
  H  H83  1  0.737572  0.086048  0.399752  1
  H  H84  1  0.710349  0.745075  0.383693  1
  H  H85  1  0.097502  0.093860  0.415822  1
  H  H86  1  0.070906  0.752715  0.399752  1
  H  H87  1  0.430835  0.760527  0.415822  1
  H  H88  1  0.043683  0.411742  0.383693  1
  H  H89  1  0.404239  0.419381  0.399752  1
  H  H90  1  0.377016  0.078409  0.383693  1
  H  H91  1  0.669911  0.495434  0.384254  1
  H  H92  1  0.721158  0.177557  0.416365  1
  H  H93  1  0.695649  0.836587  0.400322  1
  H  H94  1  1.003244  0.162101  0.384254  1
  H  H95  1  0.054492  0.844224  0.416365  1
  H  H96  1  0.336578  0.828767  0.384254  1
  H  H97  1  0.028982  0.503254  0.400322  1
  H  H98  1  0.387825  0.510890  0.416365  1
  H  H99  1  0.362316  0.169920  0.400322  1
  H  H100  1  0.775116  0.335882  0.399215  1
  H  H101  1  0.748152  0.994663  0.383169  1
  H  H102  1  0.801746  0.676903  0.415343  1
  H  H103  1  0.108450  1.002548  0.399215  1
  H  H104  1  0.081486  0.661330  0.383169  1
  H  H105  1  0.441783  0.669215  0.399215  1
  H  H106  1  0.135079  0.343570  0.415343  1
  H  H107  1  0.414819  0.327996  0.383169  1
  H  H108  1  0.468413  0.010237  0.415343  1
  H  H109  1  0.873565  0.267680  0.430884  1
  H  H110  1  0.926411  0.949749  0.463083  1
  H  H111  1  0.899972  0.608709  0.446975  1
  H  H112  1  0.206899  0.934347  0.430884  1
  H  H113  1  0.259744  0.616416  0.463083  1
  H  H114  1  0.540232  0.601013  0.430884  1
  H  H115  1  0.233305  0.275376  0.446975  1
  H  H116  1  0.593078  0.283083  0.463083  1
  H  H117  1  0.566639  0.942043  0.446975  1
  H  H118  1  0.843800  0.450390  0.464021  1
  H  H119  1  0.817329  0.109300  0.447960  1
  H  H120  1  0.790844  0.768253  0.431869  1
  H  H121  1  0.177134  0.117057  0.464021  1
  H  H122  1  0.150662  0.775967  0.447960  1
  H  H123  1  0.510467  0.783723  0.464021  1
  H  H124  1  0.124177  0.434920  0.431869  1
  H  H125  1  0.483996  0.442633  0.447960  1
  H  H126  1  0.457511  0.101586  0.431869  1
  H  H127  1  0.747103  0.518668  0.432399  1
  H  H128  1  0.799330  0.200709  0.464560  1
  H  H129  1  0.773139  0.859653  0.448507  1
  H  H130  1  0.080437  0.185334  0.432399  1
  H  H131  1  0.132663  0.867376  0.464560  1
  H  H132  1  0.413770  0.852001  0.432399  1
  H  H133  1  0.106473  0.526319  0.448507  1
  H  H134  1  0.465997  0.534043  0.464560  1
  H  H135  1  0.439806  0.192986  0.448507  1
  H  H136  1  0.854909  0.359018  0.447534  1
  H  H137  1  0.828451  0.017923  0.431449  1
  H  H138  1  0.881383  0.700081  0.463615  1
  H  H139  1  0.188242  0.025685  0.447534  1
  H  H140  1  0.161784  0.684589  0.431449  1
  H  H141  1  0.521575  0.692352  0.447534  1
  H  H142  1  0.214716  0.366748  0.463615  1
  H  H143  1  0.495117  0.351256  0.431449  1
  H  H144  1  0.548049  0.033414  0.463615  1
  H  H145  1  0.952759  0.290821  0.479162  1
  H  H146  1  0.005364  0.972913  0.511328  1
  H  H147  1  0.979060  0.631877  0.495238  1
  H  H148  1  0.286093  0.957488  0.479162  1
  H  H149  1  0.338697  0.639580  0.511328  1
  H  H150  1  0.619426  0.624154  0.479162  1
  H  H151  1  0.312394  0.298544  0.495238  1
  H  H152  1  0.672031  0.306246  0.511328  1
  H  H153  1  0.645727  0.965210  0.495238  1
  H  H154  1  0.923066  0.473557  0.512258  1
  H  H155  1  0.896658  0.132481  0.496184  1
  H  H156  1  0.870235  0.791423  0.480105  1
  H  H157  1  0.256399  0.140224  0.512258  1
  H  H158  1  0.229991  0.799148  0.496184  1
  H  H159  1  0.589732  0.806890  0.512258  1
  H  H160  1  0.203568  0.458090  0.480105  1
  H  H161  1  0.563325  0.465815  0.496184  1
  H  H162  1  0.536901  0.124757  0.480105  1
  H  H163  1  0.825518  0.541770  0.480638  1
  H  H164  1  0.878122  0.223862  0.512805  1
  H  H165  1  0.851822  0.882806  0.496729  1
  H  H166  1  0.158851  0.208437  0.480638  1
  H  H167  1  0.211456  0.890529  0.512805  1
  H  H168  1  0.492184  0.875103  0.480638  1
  H  H169  1  0.185155  0.549473  0.496729  1
  H  H170  1  0.544789  0.557196  0.512805  1
  H  H171  1  0.518488  0.216139  0.496729  1
  H  H172  1  0.934224  0.382202  0.495782  1
  H  H173  1  0.907816  0.041126  0.479708  1
  H  H174  1  0.960647  0.723260  0.511862  1
  H  H175  1  0.267557  0.048868  0.495782  1
  H  H176  1  0.241149  0.707793  0.479708  1
  H  H177  1  0.600890  0.715535  0.495782  1
  H  H178  1  0.293981  0.389926  0.511862  1
  H  H179  1  0.574483  0.374459  0.479708  1
  H  H180  1  0.627314  0.056593  0.511862  1
  H  H181  1  0.031552  0.313974  0.527406  1
  H  H182  1  0.083778  0.996015  0.559567  1
  H  H183  1  0.057742  0.655030  0.543460  1
  H  H184  1  0.364885  0.980640  0.527406  1
  H  H185  1  0.417112  0.662682  0.559567  1
  H  H186  1  0.698218  0.647307  0.527406  1
  H  H187  1  0.391076  0.321697  0.543460  1
  H  H188  1  0.750445  0.329349  0.559567  1
  H  H189  1  0.724409  0.988364  0.543460  1
  H  H190  1  1.002431  0.496760  0.560517  1
  H  H191  1  0.975973  0.155665  0.544433  1
  H  H192  1  0.949499  0.814602  0.528351  1
  H  H193  1  0.335764  0.163427  0.560517  1
  H  H194  1  0.309306  0.822331  0.544433  1
  H  H195  1  0.669098  0.830094  0.560517  1
  H  H196  1  0.282832  0.481269  0.528351  1
  H  H197  1  0.642640  0.488998  0.544433  1
  H  H198  1  0.616166  0.147935  0.528351  1
  H  H199  1  0.904471  0.564934  0.528883  1
  H  H200  1  0.957316  0.247003  0.561082  1
  H  H201  1  0.930910  0.905974  0.544991  1
  H  H202  1  0.237804  0.231600  0.528883  1
  H  H203  1  0.290650  0.913670  0.561082  1
  H  H204  1  0.571137  0.898267  0.528883  1
  H  H205  1  0.264243  0.572640  0.544991  1
  H  H206  1  0.623983  0.580336  0.561082  1
  H  H207  1  0.597577  0.239307  0.544991  1
  H  H208  1  0.013553  0.405383  0.544007  1
  H  H209  1  0.987081  0.064293  0.527946  1
  H  H210  1  0.040038  0.746430  0.560097  1
  H  H211  1  0.346886  0.072050  0.544007  1
  H  H212  1  0.320415  0.730960  0.527946  1
  H  H213  1  0.680219  0.738716  0.544007  1
  H  H214  1  0.373371  0.413097  0.560097  1
  H  H215  1  0.653748  0.397627  0.527946  1
  H  H216  1  0.706704  0.079764  0.560097  1
  H  H217  1  0.109724  0.337126  0.575601  1
  H  H218  1  0.160971  0.019249  0.607712  1
  H  H219  1  0.135233  0.678096  0.591645  1
  H  H220  1  0.443057  1.003793  0.575601  1
  H  H221  1  0.494304  0.685916  0.607712  1
  H  H222  1  0.776390  0.670459  0.575601  1
  H  H223  1  0.468566  0.344763  0.591645  1
  H  H224  1  0.827637  0.352582  0.607712  1
  H  H225  1  0.801899  0.011430  0.591645  1
  H  H226  1  0.082729  0.520020  0.608798  1
  H  H227  1  0.055765  0.178801  0.592751  1
  H  H228  1  0.029136  0.837780  0.576623  1
  H  H229  1  0.416063  0.186687  0.608798  1
  H  H230  1  0.389099  0.845468  0.592751  1
  H  H231  1  0.749396  0.853354  0.608798  1
  H  H232  1  0.362469  0.504447  0.576623  1
  H  H233  1  0.722432  0.512135  0.592751  1
  H  H234  1  0.695802  0.171113  0.576623  1
  H  H235  1  0.983829  0.588109  0.577149  1
  H  H236  1  0.037215  0.270188  0.609348  1
  H  H237  1  0.010481  0.929028  0.593337  1
  H  H238  1  0.317163  0.254776  0.577149  1
  H  H239  1  0.370549  0.936855  0.609348  1
  H  H240  1  0.650496  0.921443  0.577149  1
  H  H241  1  0.343814  0.595694  0.593337  1
  H  H242  1  0.703882  0.603522  0.609348  1
  H  H243  1  0.677148  0.262361  0.593337  1
  H  H244  1  0.093309  0.428635  0.592214  1
  H  H245  1  0.066713  0.087489  0.576144  1
  H  H246  1  0.120532  0.769608  0.608273  1
  H  H247  1  0.426643  0.095302  0.592214  1
  H  H248  1  0.400047  0.754156  0.576144  1
  H  H249  1  0.759976  0.761968  0.592214  1
  H  H250  1  0.453866  0.436275  0.608273  1
  H  H251  1  0.733380  0.420823  0.576144  1
  H  H252  1  0.787199  0.102941  0.608273  1
  H  H253  1  0.184681  0.360159  0.623721  1
  H  H254  1  0.231862  0.042003  0.656361  1
  H  H255  1  0.211883  0.701500  0.639573  1
  H  H256  1  0.518014  0.026825  0.623721  1
  H  H257  1  0.565195  0.708670  0.656361  1
  H  H258  1  0.851347  0.693492  0.623721  1
  H  H259  1  0.545217  0.368167  0.639573  1
  H  H260  1  0.898528  0.375336  0.656361  1
  H  H261  1  0.878550  0.034833  0.639573  1
  H  H262  1  0.163561  0.542273  0.657407  1
  H  H263  1  0.137673  0.202376  0.640940  1
  H  H264  1  0.109585  0.860534  0.625030  1
  H  H265  1  0.496894  0.208940  0.657407  1
  H  H266  1  0.471007  0.869043  0.640940  1
  H  H267  1  0.830227  0.875607  0.657407  1
  H  H268  1  0.442919  0.527200  0.625030  1
  H  H269  1  0.804340  0.535710  0.640940  1
  H  H270  1  0.776252  0.193867  0.625030  1
  H  H271  1  0.063622  0.611058  0.625475  1
  H  H272  1  0.117835  0.293358  0.657898  1
  H  H273  1  0.092822  0.952186  0.641472  1
  H  H274  1  0.396955  0.277725  0.625475  1
  H  H275  1  0.451169  0.960024  0.657898  1
  H  H276  1  0.730289  0.944391  0.625475  1
  H  H277  1  0.426156  0.618852  0.641472  1
  H  H278  1  0.784502  0.626691  0.657898  1
  H  H279  1  0.759489  0.285519  0.641472  1
  H  H280  1  0.175824  0.452108  0.640224  1
  H  H281  1  0.147201  0.110604  0.624413  1
  H  H282  1  0.201945  0.792054  0.656934  1
  H  H283  1  0.509157  0.118774  0.640224  1
  H  H284  1  0.480535  0.777271  0.624413  1
  H  H285  1  0.842490  0.785441  0.640224  1
  H  H286  1  0.535278  0.458721  0.656934  1
  H  H287  1  0.813868  0.443938  0.624413  1
  H  H288  1  0.868611  0.125388  0.656934  1
  H  H289  1  0.260808  0.383803  0.670874  1
  H  H290  1  0.319511  0.067307  0.704490  1
  H  H291  1  0.276463  0.722312  0.689932  1
  H  H292  1  0.594141  0.050470  0.670874  1
  H  H293  1  0.652844  0.733974  0.704490  1
  H  H294  1  0.927474  0.717136  0.670874  1
  H  H295  1  0.609797  0.388978  0.689932  1
  H  H296  1  0.986177  0.400640  0.704490  1
  H  H297  1  0.943130  0.055645  0.689932  1
  H  H298  1  0.256598  0.567721  0.706030  1
  H  H299  1  0.217381  0.224876  0.690622  1
  H  H300  1  0.193150  0.883790  0.672738  1
  H  H301  1  0.589931  0.234388  0.706030  1
  H  H302  1  0.550715  0.891543  0.690622  1
  H  H303  1  0.923265  0.901054  0.706030  1
  H  H304  1  0.526483  0.550456  0.672738  1
  H  H305  1  0.884048  0.558210  0.690622  1
  H  H306  1  0.859817  0.217123  0.672738  1
  H  H307  1  0.149874  0.633839  0.672751  1
  H  H308  1  0.224923  0.318776  0.706533  1
  H  H309  1  0.178293  0.974483  0.691497  1
  H  H310  1  0.483207  0.300505  0.672751  1
  H  H311  1  0.558256  0.985442  0.706533  1
  H  H312  1  0.816541  0.967172  0.672751  1
  H  H313  1  0.511626  0.641150  0.691497  1
  H  H314  1  0.891590  0.652109  0.706533  1
  H  H315  1  0.844960  0.307816  0.691497  1
  H  H316  1  0.256225  0.473593  0.690349  1
  H  H317  1  0.231922  0.134191  0.671911  1
  H  H318  1  0.297988  0.816780  0.705540  1
  H  H319  1  0.589558  0.140260  0.690349  1
  H  H320  1  0.565255  0.800858  0.671911  1
  H  H321  1  0.922891  0.806927  0.690349  1
  H  H322  1  0.631321  0.483446  0.705540  1
  H  H323  1  0.898588  0.467524  0.671911  1
  H  H324  1  0.964654  0.150113  0.705540  1
