# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.78378925
_cell_length_b   17.37188370
_cell_length_c   46.86653741
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.56771454
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H432
_cell_volume   9047.37759057
_cell_formula_units_Z   216
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  0.905542  0.839689  0.290619  1
  H  H2  1  0.572209  0.839689  0.290619  1
  H  H3  1  0.968807  0.341371  0.279268  1
  H  H4  1  0.238875  0.839689  0.290619  1
  H  H5  1  0.635473  0.341371  0.279268  1
  H  H6  1  0.302140  0.341371  0.279268  1
  H  H7  1  0.940807  0.579180  0.295116  1
  H  H8  1  0.607474  0.579180  0.295116  1
  H  H9  1  0.763486  0.116433  0.262681  1
  H  H10  1  0.274141  0.579180  0.295116  1
  H  H11  1  0.430152  0.116433  0.262681  1
  H  H12  1  0.096819  0.116433  0.262681  1
  H  H13  1  0.787173  0.458951  0.287504  1
  H  H14  1  0.453839  0.458951  0.287504  1
  H  H15  1  0.878371  0.979764  0.277662  1
  H  H16  1  0.120506  0.458951  0.287504  1
  H  H17  1  0.545038  0.979764  0.277662  1
  H  H18  1  0.211704  0.979764  0.277662  1
  H  H19  1  0.020414  0.696723  0.304342  1
  H  H20  1  0.687080  0.696723  0.304342  1
  H  H21  1  0.832112  0.229238  0.270367  1
  H  H22  1  0.353747  0.696723  0.304342  1
  H  H23  1  0.498778  0.229238  0.270367  1
  H  H24  1  0.165445  0.229238  0.270367  1
  H  H25  1  0.750621  0.814530  0.315135  1
  H  H26  1  0.417287  0.814530  0.315135  1
  H  H27  1  0.809967  0.325958  0.305693  1
  H  H28  1  0.083954  0.814530  0.315135  1
  H  H29  1  0.476634  0.325958  0.305693  1
  H  H30  1  0.143300  0.325958  0.305693  1
  H  H31  1  0.787374  0.560432  0.321236  1
  H  H32  1  0.454040  0.560432  0.321236  1
  H  H33  1  0.611141  0.091154  0.287533  1
  H  H34  1  0.120707  0.560432  0.321236  1
  H  H35  1  0.277808  0.091154  0.287533  1
  H  H36  1  0.944475  0.091154  0.287533  1
  H  H37  1  0.630064  0.442848  0.313322  1
  H  H38  1  0.296731  0.442848  0.313322  1
  H  H39  1  0.724307  0.954028  0.302325  1
  H  H40  1  0.963398  0.442848  0.313322  1
  H  H41  1  0.390974  0.954028  0.302325  1
  H  H42  1  0.057641  0.954028  0.302325  1
  H  H43  1  0.862742  0.678566  0.330468  1
  H  H44  1  0.529408  0.678566  0.330468  1
  H  H45  1  0.668383  0.209611  0.297130  1
  H  H46  1  0.196075  0.678566  0.330468  1
  H  H47  1  0.335049  0.209611  0.297130  1
  H  H48  1  0.001716  0.209611  0.297130  1
  H  H49  1  0.591544  0.795867  0.340043  1
  H  H50  1  0.258210  0.795867  0.340043  1
  H  H51  1  0.653181  0.307912  0.329956  1
  H  H52  1  0.924877  0.795867  0.340043  1
  H  H53  1  0.319848  0.307912  0.329956  1
  H  H54  1  0.986514  0.307912  0.329956  1
  H  H55  1  0.633985  0.542447  0.345848  1
  H  H56  1  0.300652  0.542447  0.345848  1
  H  H57  1  0.451376  0.072862  0.312465  1
  H  H58  1  0.967318  0.542447  0.345848  1
  H  H59  1  0.118042  0.072862  0.312465  1
  H  H60  1  0.784709  0.072862  0.312465  1
  H  H61  1  0.474676  0.424819  0.337900  1
  H  H62  1  0.141343  0.424819  0.337900  1
  H  H63  1  0.568156  0.934243  0.327048  1
  H  H64  1  0.808010  0.424819  0.337900  1
  H  H65  1  0.234822  0.934243  0.327048  1
  H  H66  1  0.901489  0.934243  0.327048  1
  H  H67  1  0.704951  0.659164  0.355065  1
  H  H68  1  0.371618  0.659164  0.355065  1
  H  H69  1  0.508352  0.189351  0.320567  1
  H  H70  1  0.038285  0.659164  0.355065  1
  H  H71  1  0.175019  0.189351  0.320567  1
  H  H72  1  0.841685  0.189351  0.320567  1
  H  H73  1  0.432217  0.775908  0.364410  1
  H  H74  1  0.098883  0.775908  0.364410  1
  H  H75  1  0.498088  0.286781  0.353951  1
  H  H76  1  0.765550  0.775908  0.364410  1
  H  H77  1  0.164754  0.286781  0.353951  1
  H  H78  1  0.831421  0.286781  0.353951  1
  H  H79  1  0.481312  0.522199  0.370219  1
  H  H80  1  0.147979  0.522199  0.370219  1
  H  H81  1  0.294082  0.050830  0.336003  1
  H  H82  1  0.814646  0.522199  0.370219  1
  H  H83  1  0.960748  0.050830  0.336003  1
  H  H84  1  0.627415  0.050830  0.336003  1
  H  H85  1  0.321011  0.404715  0.362019  1
  H  H86  1  0.987678  0.404715  0.362019  1
  H  H87  1  0.412361  0.911937  0.350850  1
  H  H88  1  0.654344  0.404715  0.362019  1
  H  H89  1  0.079028  0.911937  0.350850  1
  H  H90  1  0.745695  0.911937  0.350850  1
  H  H91  1  0.547296  0.638996  0.379556  1
  H  H92  1  0.213962  0.638996  0.379556  1
  H  H93  1  0.347945  0.169520  0.344907  1
  H  H94  1  0.880629  0.638996  0.379556  1
  H  H95  1  0.014611  0.169520  0.344907  1
  H  H96  1  0.681278  0.169520  0.344907  1
  H  H97  1  0.273007  0.755842  0.388630  1
  H  H98  1  0.939674  0.755842  0.388630  1
  H  H99  1  0.343284  0.266174  0.377938  1
  H  H100  1  0.606340  0.755842  0.388630  1
  H  H101  1  0.009950  0.266174  0.377938  1
  H  H102  1  0.676617  0.266174  0.377938  1
  H  H103  1  0.327517  0.501300  0.394440  1
  H  H104  1  0.994184  0.501300  0.394440  1
  H  H105  1  0.135473  0.030129  0.360063  1
  H  H106  1  0.660850  0.501300  0.394440  1
  H  H107  1  0.802140  0.030129  0.360063  1
  H  H108  1  0.468806  0.030129  0.360063  1
  H  H109  1  0.167247  0.383489  0.385982  1
  H  H110  1  0.833914  0.383489  0.385982  1
  H  H111  1  0.255016  0.892078  0.375159  1
  H  H112  1  0.500581  0.383489  0.385982  1
  H  H113  1  0.921683  0.892078  0.375159  1
  H  H114  1  0.588349  0.892078  0.375159  1
  H  H115  1  0.389815  0.618174  0.403727  1
  H  H116  1  0.056482  0.618174  0.403727  1
  H  H117  1  0.190169  0.147827  0.368557  1
  H  H118  1  0.723149  0.618174  0.403727  1
  H  H119  1  0.856836  0.147827  0.368557  1
  H  H120  1  0.523503  0.147827  0.368557  1
  H  H121  1  0.114325  0.735184  0.412669  1
  H  H122  1  0.780992  0.735184  0.412669  1
  H  H123  1  0.188366  0.244763  0.401756  1
  H  H124  1  0.447658  0.735184  0.412669  1
  H  H125  1  0.855033  0.244763  0.401756  1
  H  H126  1  0.521699  0.244763  0.401756  1
  H  H127  1  0.172646  0.480120  0.418652  1
  H  H128  1  0.839313  0.480120  0.418652  1
  H  H129  1  0.978143  1.009226  0.383844  1
  H  H130  1  0.505980  0.480120  0.418652  1
  H  H131  1  0.644809  1.009226  0.383844  1
  H  H132  1  0.311476  1.009226  0.383844  1
  H  H133  1  0.012700  0.362531  0.410051  1
  H  H134  1  0.679366  0.362531  0.410051  1
  H  H135  1  0.097800  0.871907  0.399301  1
  H  H136  1  0.346033  0.362531  0.410051  1
  H  H137  1  0.764466  0.871907  0.399301  1
  H  H138  1  0.431133  0.871907  0.399301  1
  H  H139  1  0.232432  0.597055  0.427764  1
  H  H140  1  0.899099  0.597055  0.427764  1
  H  H141  1  0.032785  0.127173  0.392703  1
  H  H142  1  0.565766  0.597055  0.427764  1
  H  H143  1  0.699451  0.127173  0.392703  1
  H  H144  1  0.366118  0.127173  0.392703  1
  H  H145  1  0.956366  0.714284  0.436646  1
  H  H146  1  0.623032  0.714284  0.436646  1
  H  H147  1  0.032849  0.224075  0.425748  1
  H  H148  1  0.289699  0.714284  0.436646  1
  H  H149  1  0.699516  0.224075  0.425748  1
  H  H150  1  0.366183  0.224075  0.425748  1
  H  H151  1  0.017221  0.459027  0.442800  1
  H  H152  1  0.683888  0.459027  0.442800  1
  H  H153  1  0.820742  0.989091  0.407984  1
  H  H154  1  0.350555  0.459027  0.442800  1
  H  H155  1  0.487408  0.989091  0.407984  1
  H  H156  1  0.154075  0.989091  0.407984  1
  H  H157  1  0.857546  0.341387  0.434046  1
  H  H158  1  0.524213  0.341387  0.434046  1
  H  H159  1  0.940811  0.851470  0.423381  1
  H  H160  1  0.190880  0.341387  0.434046  1
  H  H161  1  0.607478  0.851470  0.423381  1
  H  H162  1  0.274145  0.851470  0.423381  1
  H  H163  1  0.075258  0.576090  0.451784  1
  H  H164  1  0.741924  0.576090  0.451784  1
  H  H165  1  0.876005  0.106459  0.416710  1
  H  H166  1  0.408591  0.576090  0.451784  1
  H  H167  1  0.542672  0.106459  0.416710  1
  H  H168  1  0.209339  0.106459  0.416710  1
  H  H169  1  0.798937  0.693402  0.460637  1
  H  H170  1  0.465604  0.693402  0.460637  1
  H  H171  1  0.877085  0.203334  0.449733  1
  H  H172  1  0.132270  0.693402  0.460637  1
  H  H173  1  0.543751  0.203334  0.449733  1
  H  H174  1  0.210418  0.203334  0.449733  1
  H  H175  1  0.861451  0.437956  0.466886  1
  H  H176  1  0.528118  0.437956  0.466886  1
  H  H177  1  0.663674  0.968737  0.432023  1
  H  H178  1  0.194784  0.437956  0.466886  1
  H  H179  1  0.330341  0.968737  0.432023  1
  H  H180  1  0.997007  0.968737  0.432023  1
  H  H181  1  0.702050  0.320498  0.458080  1
  H  H182  1  0.368717  0.320498  0.458080  1
  H  H183  1  0.783969  0.830728  0.447343  1
  H  H184  1  0.035384  0.320498  0.458080  1
  H  H185  1  0.450636  0.830728  0.447343  1
  H  H186  1  0.117303  0.830728  0.447343  1
  H  H187  1  0.918340  0.555183  0.475797  1
  H  H188  1  0.585006  0.555183  0.475797  1
  H  H189  1  0.719234  0.085966  0.440800  1
  H  H190  1  0.251673  0.555183  0.475797  1
  H  H191  1  0.385901  0.085966  0.440800  1
  H  H192  1  0.052568  0.085966  0.440800  1
  H  H193  1  0.641754  0.672570  0.484626  1
  H  H194  1  0.308420  0.672570  0.484626  1
  H  H195  1  0.721230  0.182664  0.473760  1
  H  H196  1  0.975087  0.672570  0.484626  1
  H  H197  1  0.387897  0.182664  0.473760  1
  H  H198  1  0.054564  0.182664  0.473760  1
  H  H199  1  0.705402  0.417053  0.490954  1
  H  H200  1  0.372069  0.417053  0.490954  1
  H  H201  1  0.506839  0.948121  0.456075  1
  H  H202  1  0.038735  0.417053  0.490954  1
  H  H203  1  0.173506  0.948121  0.456075  1
  H  H204  1  0.840173  0.948121  0.456075  1
  H  H205  1  0.546357  0.299687  0.482105  1
  H  H206  1  0.213024  0.299687  0.482105  1
  H  H207  1  0.627070  0.809871  0.471298  1
  H  H208  1  0.879691  0.299687  0.482105  1
  H  H209  1  0.293736  0.809871  0.471298  1
  H  H210  1  0.960403  0.809871  0.471298  1
  H  H211  1  0.761631  0.534296  0.499805  1
  H  H212  1  0.428298  0.534296  0.499805  1
  H  H213  1  0.562684  0.065333  0.464865  1
  H  H214  1  0.094964  0.534296  0.499805  1
  H  H215  1  0.229350  0.065333  0.464865  1
  H  H216  1  0.896017  0.065333  0.464865  1
  H  H217  1  0.484710  0.651751  0.508593  1
  H  H218  1  0.151377  0.651751  0.508593  1
  H  H219  1  0.565422  0.161935  0.497786  1
  H  H220  1  0.818044  0.651751  0.508593  1
  H  H221  1  0.232089  0.161935  0.497786  1
  H  H222  1  0.898756  0.161935  0.497786  1
  H  H223  1  0.549096  0.396289  0.515025  1
  H  H224  1  0.215763  0.396289  0.515025  1
  H  H225  1  0.350149  0.927326  0.480086  1
  H  H226  1  0.882429  0.396289  0.515025  1
  H  H227  1  0.016816  0.927326  0.480086  1
  H  H228  1  0.683482  0.927326  0.480086  1
  H  H229  1  0.390549  0.278958  0.506131  1
  H  H230  1  0.057216  0.278958  0.506131  1
  H  H231  1  0.470026  0.789052  0.495265  1
  H  H232  1  0.723883  0.278958  0.506131  1
  H  H233  1  0.136693  0.789052  0.495265  1
  H  H234  1  0.803359  0.789052  0.495265  1
  H  H235  1  0.604941  0.513501  0.523816  1
  H  H236  1  0.271607  0.513501  0.523816  1
  H  H237  1  0.406378  0.044569  0.488937  1
  H  H238  1  0.938274  0.513501  0.523816  1
  H  H239  1  0.073044  0.044569  0.488937  1
  H  H240  1  0.739711  0.044569  0.488937  1
  H  H241  1  0.327810  0.630894  0.532548  1
  H  H242  1  0.994477  0.630894  0.532548  1
  H  H243  1  0.409730  0.141124  0.521811  1
  H  H244  1  0.661144  0.630894  0.532548  1
  H  H245  1  0.076396  0.141124  0.521811  1
  H  H246  1  0.743063  0.141124  0.521811  1
  H  H247  1  0.392545  0.375656  0.539091  1
  H  H248  1  0.059212  0.375656  0.539091  1
  H  H249  1  0.193440  0.906439  0.504093  1
  H  H250  1  0.725879  0.375656  0.539091  1
  H  H251  1  0.860107  0.906439  0.504093  1
  H  H252  1  0.526773  0.906439  0.504093  1
  H  H253  1  0.234695  0.258288  0.530158  1
  H  H254  1  0.901362  0.258288  0.530158  1
  H  H255  1  0.312843  0.768220  0.519254  1
  H  H256  1  0.568029  0.258288  0.530158  1
  H  H257  1  0.979509  0.768220  0.519254  1
  H  H258  1  0.646176  0.768220  0.519254  1
  H  H259  1  0.448106  0.492885  0.547868  1
  H  H260  1  0.114773  0.492885  0.547868  1
  H  H261  1  0.250329  0.023666  0.513005  1
  H  H262  1  0.781439  0.492885  0.547868  1
  H  H263  1  0.916996  0.023666  0.513005  1
  H  H264  1  0.583662  0.023666  0.513005  1
  H  H265  1  0.170969  0.610152  0.556510  1
  H  H266  1  0.837635  0.610152  0.556510  1
  H  H267  1  0.254233  0.120235  0.545844  1
  H  H268  1  0.504302  0.610152  0.556510  1
  H  H269  1  0.920900  0.120235  0.545844  1
  H  H270  1  0.587567  0.120235  0.545844  1
  H  H271  1  0.235774  0.355163  0.563181  1
  H  H272  1  0.902441  0.355163  0.563181  1
  H  H273  1  0.036522  0.885532  0.528107  1
  H  H274  1  0.569108  0.355163  0.563181  1
  H  H275  1  0.703189  0.885532  0.528107  1
  H  H276  1  0.369856  0.885532  0.528107  1
  H  H277  1  0.078931  0.237547  0.554143  1
  H  H278  1  0.745597  0.237547  0.554143  1
  H  H279  1  0.155414  0.747338  0.543245  1
  H  H280  1  0.412264  0.237547  0.554143  1
  H  H281  1  0.822081  0.747338  0.543245  1
  H  H282  1  0.488748  0.747338  0.543245  1
  H  H283  1  0.291038  0.472531  0.571907  1
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  H  H432  1  0.504306  0.882442  0.684775  1
