# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20235266
_cell_length_b   24.41576422
_cell_length_c   48.03149276
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.33975044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H468
_cell_volume   9599.48741515
_cell_formula_units_Z   234
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  0.799549  0.871301  0.310312  1
  H  H2  1  0.132883  0.537967  0.310312  1
  H  H3  1  0.240709  0.857019  0.288899  1
  H  H4  1  0.466216  0.204634  0.310312  1
  H  H5  1  0.574043  0.523685  0.288899  1
  H  H6  1  0.528282  0.864944  0.298482  1
  H  H7  1  0.907376  0.190352  0.288899  1
  H  H8  1  0.861615  0.531611  0.298482  1
  H  H9  1  0.194949  0.198278  0.298482  1
  H  H10  1  0.833132  0.701875  0.303833  1
  H  H11  1  0.166466  0.368542  0.303833  1
  H  H12  1  0.271254  0.692489  0.284280  1
  H  H13  1  0.499799  0.035209  0.303833  1
  H  H14  1  0.604587  0.359155  0.284280  1
  H  H15  1  0.555560  0.695109  0.294574  1
  H  H16  1  0.937920  0.025822  0.284280  1
  H  H17  1  0.888894  0.361775  0.294574  1
  H  H18  1  0.222227  0.028442  0.294574  1
  H  H19  1  0.711417  0.613460  0.297046  1
  H  H20  1  0.044750  0.280126  0.297046  1
  H  H21  1  0.163246  0.602878  0.276077  1
  H  H22  1  0.378084  0.946793  0.297046  1
  H  H23  1  0.496579  0.269544  0.276077  1
  H  H24  1  0.435147  0.609397  0.287671  1
  H  H25  1  0.829912  0.936211  0.276077  1
  H  H26  1  0.768480  0.276063  0.287671  1
  H  H27  1  0.101814  0.942730  0.287671  1
  H  H28  1  0.959193  0.791029  0.309838  1
  H  H29  1  0.292526  0.457696  0.309838  1
  H  H30  1  0.400636  0.776511  0.291667  1
  H  H31  1  0.625859  0.124362  0.309838  1
  H  H32  1  0.733969  0.443178  0.291667  1
  H  H33  1  0.681898  0.783009  0.301213  1
  H  H34  1  0.067303  0.109845  0.291667  1
  H  H35  1  0.015231  0.449676  0.301213  1
  H  H36  1  0.348565  0.116343  0.301213  1
  H  H37  1  0.597955  0.891921  0.344223  1
  H  H38  1  0.931288  0.558588  0.344223  1
  H  H39  1  0.060147  0.878463  0.323411  1
  H  H40  1  0.264622  0.225254  0.344223  1
  H  H41  1  0.393480  0.545130  0.323411  1
  H  H42  1  0.331302  0.884325  0.333211  1
  H  H43  1  0.726814  0.211796  0.323411  1
  H  H44  1  0.664635  0.550991  0.333211  1
  H  H45  1  0.997969  0.217658  0.333211  1
  H  H46  1  0.632971  0.722215  0.338624  1
  H  H47  1  0.966304  0.388882  0.338624  1
  H  H48  1  0.093265  0.708540  0.318451  1
  H  H49  1  0.299637  0.055549  0.338624  1
  H  H50  1  0.426598  0.375206  0.318451  1
  H  H51  1  0.364234  0.713425  0.329276  1
  H  H52  1  0.759931  0.041873  0.318451  1
  H  H53  1  0.697567  0.380091  0.329276  1
  H  H54  1  0.030900  0.046758  0.329276  1
  H  H55  1  0.516087  0.632800  0.332055  1
  H  H56  1  0.849420  0.299466  0.332055  1
  H  H57  1  0.978171  0.621121  0.310062  1
  H  H58  1  0.182753  0.966133  0.332055  1
  H  H59  1  0.311504  0.287788  0.310062  1
  H  H60  1  0.244675  0.627480  0.321978  1
  H  H61  1  0.644838  0.954455  0.310062  1
  H  H62  1  0.578008  0.294147  0.321978  1
  H  H63  1  0.911341  0.960814  0.321978  1
  H  H64  1  0.752078  0.810508  0.345902  1
  H  H65  1  0.085411  0.477175  0.345902  1
  H  H66  1  0.214330  0.794844  0.326078  1
  H  H67  1  0.418744  0.143842  0.345902  1
  H  H68  1  0.547663  0.461510  0.326078  1
  H  H69  1  0.483784  0.803196  0.335819  1
  H  H70  1  0.880996  0.128177  0.326078  1
  H  H71  1  0.817117  0.469863  0.335819  1
  H  H72  1  0.150450  0.136529  0.335819  1
  H  H73  1  0.398768  0.912295  0.377710  1
  H  H74  1  0.732101  0.578962  0.377710  1
  H  H75  1  0.861926  0.898150  0.356354  1
  H  H76  1  0.065435  0.245628  0.377710  1
  H  H77  1  0.195259  0.564817  0.356354  1
  H  H78  1  0.131743  0.904467  0.367158  1
  H  H79  1  0.528593  0.231483  0.356354  1
  H  H80  1  0.465077  0.571133  0.367158  1
  H  H81  1  0.798410  0.237800  0.367158  1
  H  H82  1  0.433310  0.741904  0.372474  1
  H  H83  1  0.766643  0.408571  0.372474  1
  H  H84  1  0.898179  0.729800  0.349722  1
  H  H85  1  0.099977  0.075238  0.372474  1
  H  H86  1  0.231513  0.396467  0.349722  1
  H  H87  1  0.165532  0.734139  0.362497  1
  H  H88  1  0.564846  0.063133  0.349722  1
  H  H89  1  0.498865  0.400806  0.362497  1
  H  H90  1  0.832199  0.067473  0.362497  1
  H  H91  1  0.315920  0.653137  0.365656  1
  H  H92  1  0.649253  0.319804  0.365656  1
  H  H93  1  0.781745  0.641579  0.342404  1
  H  H94  1  0.982586  0.986470  0.365656  1
  H  H95  1  0.115079  0.308246  0.342404  1
  H  H96  1  0.046736  0.647686  0.354854  1
  H  H97  1  0.448412  0.974912  0.342404  1
  H  H98  1  0.380069  0.314353  0.354854  1
  H  H99  1  0.713403  0.981019  0.354854  1
  H  H100  1  0.550772  0.830947  0.380100  1
  H  H101  1  0.884106  0.497614  0.380100  1
  H  H102  1  0.014601  0.815695  0.358076  1
  H  H103  1  0.217439  0.164280  0.380100  1
  H  H104  1  0.347935  0.482362  0.358076  1
  H  H105  1  0.283038  0.822937  0.369512  1
  H  H106  1  0.681268  0.149029  0.358076  1
  H  H107  1  0.616371  0.489604  0.369512  1
  H  H108  1  0.949705  0.156271  0.369512  1
  H  H109  1  0.205134  0.924374  0.412043  1
  H  H110  1  0.538468  0.591040  0.412043  1
  H  H111  1  0.664090  0.920063  0.389770  1
  H  H112  1  0.871801  0.257707  0.412043  1
  H  H113  1  0.997423  0.586730  0.389770  1
  H  H114  1  0.934813  0.924792  0.400984  1
  H  H115  1  0.330757  0.253396  0.389770  1
  H  H116  1  0.268147  0.591459  0.400984  1
  H  H117  1  0.601480  0.258125  0.400984  1
  H  H118  1  0.237830  0.758848  0.406753  1
  H  H119  1  0.571163  0.425515  0.406753  1
  H  H120  1  0.700968  0.750587  0.383068  1
  H  H121  1  0.904496  0.092182  0.406753  1
  H  H122  1  0.034301  0.417254  0.383068  1
  H  H123  1  0.968686  0.756677  0.395118  1
  H  H124  1  0.367634  0.083920  0.383068  1
  H  H125  1  0.302019  0.423344  0.395118  1
  H  H126  1  0.635352  0.090010  0.395118  1
  H  H127  1  0.117390  0.674425  0.399404  1
  H  H128  1  0.450723  0.341092  0.399404  1
  H  H129  1  0.583306  0.661159  0.375784  1
  H  H130  1  0.784057  1.007759  0.399404  1
  H  H131  1  0.916639  0.327826  0.375784  1
  H  H132  1  0.848937  0.669660  0.387493  1
  H  H133  1  0.249973  0.994493  0.375784  1
  H  H134  1  0.182271  0.336327  0.387493  1
  H  H135  1  0.515604  1.002993  0.387493  1
  H  H136  1  0.356581  0.840163  0.414631  1
  H  H137  1  0.689914  0.506829  0.414631  1
  H  H138  1  0.817400  0.838074  0.391893  1
  H  H139  1  0.023247  0.173496  0.414631  1
  H  H140  1  0.150734  0.504740  0.391893  1
  H  H141  1  0.086802  0.841633  0.403282  1
  H  H142  1  0.484067  0.171407  0.391893  1
  H  H143  1  0.420135  0.508300  0.403282  1
  H  H144  1  0.753469  0.174967  0.403282  1
  H  H145  1  0.025887  0.898572  0.444815  1
  H  H146  1  0.359221  0.565239  0.444815  1
  H  H147  1  0.476071  0.917985  0.423711  1
  H  H148  1  0.692554  0.231905  0.444815  1
  H  H149  1  0.809405  0.584652  0.423711  1
  H  H150  1  0.752981  0.907725  0.434538  1
  H  H151  1  0.142738  0.251319  0.423711  1
  H  H152  1  0.086314  0.574392  0.434538  1
  H  H153  1  0.419647  0.241059  0.434538  1
  H  H154  1  0.055557  0.736377  0.440092  1
  H  H155  1  0.388890  0.403044  0.440092  1
  H  H156  1  0.507956  0.755359  0.417522  1
  H  H157  1  0.722224  0.069711  0.440092  1
  H  H158  1  0.841289  0.422026  0.417522  1
  H  H159  1  0.781667  0.745964  0.428752  1
  H  H160  1  0.174623  0.088692  0.417522  1
  H  H161  1  0.115001  0.412631  0.428752  1
  H  H162  1  0.448334  0.079297  0.428752  1
  H  H163  1  0.932266  0.659939  0.432813  1
  H  H164  1  0.265599  0.326606  0.432813  1
  H  H165  1  0.387714  0.675018  0.410149  1
  H  H166  1  0.598932  0.993273  0.432813  1
  H  H167  1  0.721047  0.341684  0.410149  1
  H  H168  1  0.656840  0.669624  0.421436  1
  H  H169  1  0.054381  1.008351  0.410149  1
  H  H170  1  0.990174  0.336290  0.421436  1
  H  H171  1  0.323507  1.002957  0.421436  1
  H  H172  1  0.175254  0.814146  0.447917  1
  H  H173  1  0.508587  0.480812  0.447917  1
  H  H174  1  0.629289  0.832160  0.426049  1
  H  H175  1  0.841921  0.147479  0.447917  1
  H  H176  1  0.962622  0.498826  0.426049  1
  H  H177  1  0.904544  0.821643  0.436975  1
  H  H178  1  0.295956  0.165493  0.426049  1
  H  H179  1  0.237878  0.488310  0.436975  1
  H  H180  1  0.571211  0.154977  0.436975  1
  H  H181  1  0.839994  0.875949  0.477783  1
  H  H182  1  0.173327  0.542615  0.477783  1
  H  H183  1  0.294563  0.892045  0.456221  1
  H  H184  1  0.506660  0.209282  0.477783  1
  H  H185  1  0.627896  0.558712  0.456221  1
  H  H186  1  0.566307  0.883977  0.466807  1
  H  H187  1  0.961230  0.225379  0.456221  1
  H  H188  1  0.899640  0.550643  0.466807  1
  H  H189  1  0.232973  0.217310  0.466807  1
  H  H190  1  0.864536  0.713741  0.472585  1
  H  H191  1  0.197870  0.380408  0.472585  1
  H  H192  1  0.325768  0.728916  0.450694  1
  H  H193  1  0.531203  0.047074  0.472585  1
  H  H194  1  0.659102  0.395582  0.450694  1
  H  H195  1  0.594090  0.722496  0.461321  1
  H  H196  1  0.992435  0.062249  0.450694  1
  H  H197  1  0.927424  0.389162  0.461321  1
  H  H198  1  0.260757  0.055829  0.461321  1
  H  H199  1  0.742545  0.635706  0.465133  1
  H  H200  1  0.075879  0.302372  0.465133  1
  H  H201  1  0.209036  0.650532  0.443250  1
  H  H202  1  0.409212  0.969039  0.465133  1
  H  H203  1  0.542370  0.317199  0.443250  1
  H  H204  1  0.479285  0.642676  0.455062  1
  H  H205  1  0.875703  0.983866  0.443250  1
  H  H206  1  0.812619  0.309343  0.455062  1
  H  H207  1  0.145952  0.976009  0.455062  1
  H  H208  1  0.988834  0.791605  0.480784  1
  H  H209  1  0.322168  0.458271  0.480784  1
  H  H210  1  0.443564  0.807088  0.458609  1
  H  H211  1  0.655501  0.124938  0.480784  1
  H  H212  1  0.776898  0.473754  0.458609  1
  H  H213  1  0.716243  0.799222  0.469511  1
  H  H214  1  0.110231  0.140421  0.458609  1
  H  H215  1  0.049576  0.465888  0.469511  1
  H  H216  1  0.382909  0.132555  0.469511  1
  H  H217  1  0.764613  0.928780  0.517850  1
  H  H218  1  0.097946  0.595447  0.517850  1
  H  H219  1  0.114899  0.871469  0.489147  1
  H  H220  1  0.431280  0.262113  0.517850  1
  H  H221  1  0.448232  0.538135  0.489147  1
  H  H222  1  0.486948  0.936990  0.506887  1
  H  H223  1  0.781565  0.204802  0.489147  1
  H  H224  1  0.820281  0.603656  0.506887  1
  H  H225  1  0.153614  0.270323  0.506887  1
  H  H226  1  0.526693  0.774040  0.501885  1
  H  H227  1  0.860026  0.440707  0.501885  1
  H  H228  1  0.136315  0.704958  0.483367  1
  H  H229  1  0.193360  0.107373  0.501885  1
  H  H230  1  0.469648  0.371625  0.483367  1
  H  H231  1  0.406054  0.696856  0.494083  1
  H  H232  1  0.802982  0.038291  0.483367  1
  H  H233  1  0.739387  0.363523  0.494083  1
  H  H234  1  0.072720  0.030190  0.494083  1
  H  H235  1  0.668587  0.684901  0.504147  1
  H  H236  1  0.001920  0.351568  0.504147  1
  H  H237  1  0.018872  0.627590  0.475444  1
  H  H238  1  0.335254  0.018235  0.504147  1
  H  H239  1  0.352206  0.294257  0.475444  1
  H  H240  1  0.296538  0.619380  0.486407  1
  H  H241  1  0.685539  0.960923  0.475444  1
  H  H242  1  0.629871  0.286047  0.486407  1
  H  H243  1  0.963205  0.952714  0.486407  1
  H  H244  1  0.647171  0.851412  0.509927  1
  H  H245  1  0.980504  0.518079  0.509927  1
  H  H246  1  0.256792  0.782330  0.491409  1
  H  H247  1  0.313837  0.184745  0.509927  1
  H  H248  1  0.590126  0.448997  0.491409  1
  H  H249  1  0.377432  0.859514  0.499211  1
  H  H250  1  0.923459  0.115663  0.491409  1
  H  H251  1  0.710765  0.526180  0.499211  1
  H  H252  1  0.044098  0.192847  0.499211  1
  H  H253  1  0.574449  0.905838  0.550044  1
  H  H254  1  0.907783  0.572504  0.550044  1
  H  H255  1  0.040940  0.920664  0.528161  1
  H  H256  1  0.241116  0.239171  0.550044  1
  H  H257  1  0.374274  0.587331  0.528161  1
  H  H258  1  0.304200  0.913694  0.538233  1
  H  H259  1  0.707607  0.253998  0.528161  1
  H  H260  1  0.637534  0.580361  0.538233  1
  H  H261  1  0.970867  0.247027  0.538233  1
  H  H262  1  0.339921  0.749282  0.534686  1
  H  H263  1  0.673255  0.415949  0.534686  1
  H  H264  1  0.794651  0.764765  0.512511  1
  H  H265  1  0.006588  0.082616  0.534686  1
  H  H266  1  0.127985  0.431432  0.512511  1
  H  H267  1  0.067243  0.757148  0.523784  1
  H  H268  1  0.461318  0.098099  0.512511  1
  H  H269  1  0.400576  0.423815  0.523784  1
  H  H270  1  0.733909  0.090482  0.523784  1
  H  H271  1  0.488923  0.664325  0.537074  1
  H  H272  1  0.822256  0.330991  0.537074  1
  H  H273  1  0.943492  0.680421  0.515512  1
  H  H274  1  0.155589  0.997658  0.537074  1
  H  H275  1  0.276825  0.347088  0.515512  1
  H  H276  1  0.217179  0.672393  0.526487  1
  H  H277  1  0.610159  0.013755  0.515512  1
  H  H278  1  0.550512  0.339060  0.526487  1
  H  H279  1  0.883846  1.005727  0.526487  1
  H  H280  1  0.457717  0.827454  0.542600  1
  H  H281  1  0.791051  0.494121  0.542600  1
  H  H282  1  0.918949  0.842629  0.520709  1
  H  H283  1  0.124384  0.160788  0.542600  1
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  H  H366  1  0.736750  0.908684  0.638440  1
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  H  H368  1  0.070083  0.575351  0.638440  1
  H  H369  1  0.403416  0.242017  0.638440  1
  H  H370  1  0.768884  0.740675  0.635218  1
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  H  H372  1  0.232713  0.725423  0.613194  1
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  H  H374  1  0.566047  0.392090  0.613194  1
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  H  H377  1  0.833781  0.400099  0.623782  1
  H  H378  1  0.167114  0.066766  0.623782  1
  H  H379  1  0.921560  0.658220  0.636940  1
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  H  H381  1  0.384717  0.644075  0.615585  1
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  H  H384  1  0.651742  0.651903  0.626136  1
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  H  H388  1  0.885306  0.826570  0.643572  1
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  H  H392  1  0.683509  0.481132  0.620820  1
  H  H393  1  0.617954  0.822231  0.630798  1
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  H  H433  1  0.620240  0.953492  0.717217  1
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  H  H435  1  0.072068  0.942910  0.696248  1
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  H  H445  1  0.049516  0.113192  0.701627  1
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  H  H450  1  0.768254  0.106694  0.692081  1
  H  H451  1  0.542776  0.699351  0.704396  1
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  H  H467  1  0.561259  0.527928  0.698721  1
  H  H468  1  0.894592  0.194595  0.698721  1
