# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21094171
_cell_length_b   24.35732348
_cell_length_c   47.87107589
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.33791562
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H468
_cell_volume   9554.50144576
_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  0.797889  0.872220  0.311313  1
  H  H2  1  0.131222  0.538886  0.311313  1
  H  H3  1  0.239624  0.858151  0.289867  1
  H  H4  1  0.464556  0.205553  0.311313  1
  H  H5  1  0.572957  0.524817  0.289867  1
  H  H6  1  0.526597  0.866016  0.299537  1
  H  H7  1  0.906291  0.191484  0.289867  1
  H  H8  1  0.859930  0.532683  0.299537  1
  H  H9  1  0.193263  0.199349  0.299537  1
  H  H10  1  0.831793  0.702934  0.304941  1
  H  H11  1  0.165127  0.369601  0.304941  1
  H  H12  1  0.270907  0.693705  0.285196  1
  H  H13  1  0.498460  0.036268  0.304941  1
  H  H14  1  0.604241  0.360372  0.285196  1
  H  H15  1  0.554696  0.696276  0.295528  1
  H  H16  1  0.937574  0.027039  0.285196  1
  H  H17  1  0.888029  0.362943  0.295528  1
  H  H18  1  0.221363  0.029610  0.295528  1
  H  H19  1  0.710501  0.614643  0.298083  1
  H  H20  1  0.043834  0.281310  0.298083  1
  H  H21  1  0.163040  0.604106  0.277062  1
  H  H22  1  0.377167  0.947976  0.298083  1
  H  H23  1  0.496373  0.270773  0.277062  1
  H  H24  1  0.434700  0.610567  0.288550  1
  H  H25  1  0.829707  0.937440  0.277062  1
  H  H26  1  0.768033  0.277234  0.288550  1
  H  H27  1  0.101366  0.943901  0.288550  1
  H  H28  1  0.957402  0.791848  0.310848  1
  H  H29  1  0.290735  0.458515  0.310848  1
  H  H30  1  0.399586  0.777695  0.292605  1
  H  H31  1  0.624069  0.125182  0.310848  1
  H  H32  1  0.732919  0.444362  0.292605  1
  H  H33  1  0.680238  0.784096  0.302232  1
  H  H34  1  0.066252  0.111028  0.292605  1
  H  H35  1  0.013571  0.450763  0.302232  1
  H  H36  1  0.346904  0.117429  0.302232  1
  H  H37  1  0.597025  0.892120  0.345243  1
  H  H38  1  0.930359  0.558786  0.345243  1
  H  H39  1  0.058527  0.879250  0.324319  1
  H  H40  1  0.263692  0.225453  0.345243  1
  H  H41  1  0.391860  0.545917  0.324319  1
  H  H42  1  0.330021  0.884623  0.334195  1
  H  H43  1  0.725194  0.212584  0.324319  1
  H  H44  1  0.663354  0.551289  0.334195  1
  H  H45  1  0.996687  0.217956  0.334195  1
  H  H46  1  0.632226  0.722438  0.339664  1
  H  H47  1  0.965559  0.389105  0.339664  1
  H  H48  1  0.092227  0.709369  0.319347  1
  H  H49  1  0.298893  0.055771  0.339664  1
  H  H50  1  0.425560  0.376036  0.319347  1
  H  H51  1  0.363313  0.714044  0.330214  1
  H  H52  1  0.758894  0.042702  0.319347  1
  H  H53  1  0.696646  0.380711  0.330214  1
  H  H54  1  0.029979  0.047377  0.330214  1
  H  H55  1  0.515238  0.633272  0.332996  1
  H  H56  1  0.848571  0.299939  0.332996  1
  H  H57  1  0.977296  0.622064  0.311042  1
  H  H58  1  0.181904  0.966606  0.332996  1
  H  H59  1  0.310629  0.288730  0.311042  1
  H  H60  1  0.243864  0.628332  0.322917  1
  H  H61  1  0.643962  0.955397  0.311042  1
  H  H62  1  0.577197  0.294999  0.322917  1
  H  H63  1  0.910530  0.961665  0.322917  1
  H  H64  1  0.751031  0.810769  0.346937  1
  H  H65  1  0.084364  0.477435  0.346937  1
  H  H66  1  0.212712  0.795483  0.326949  1
  H  H67  1  0.417697  0.144102  0.346937  1
  H  H68  1  0.546046  0.462150  0.326949  1
  H  H69  1  0.482490  0.803373  0.336824  1
  H  H70  1  0.879379  0.128816  0.326949  1
  H  H71  1  0.815824  0.470039  0.336824  1
  H  H72  1  0.149157  0.136706  0.336824  1
  H  H73  1  0.398238  0.911736  0.378698  1
  H  H74  1  0.731572  0.578403  0.378698  1
  H  H75  1  0.861065  0.898464  0.357357  1
  H  H76  1  0.064905  0.245070  0.378698  1
  H  H77  1  0.194398  0.565131  0.357357  1
  H  H78  1  0.131202  0.904332  0.368141  1
  H  H79  1  0.527731  0.231797  0.357357  1
  H  H80  1  0.464535  0.570999  0.368141  1
  H  H81  1  0.797869  0.237666  0.368141  1
  H  H82  1  0.432965  0.741513  0.373525  1
  H  H83  1  0.766298  0.408179  0.373525  1
  H  H84  1  0.897403  0.730045  0.350788  1
  H  H85  1  0.099632  0.074846  0.373525  1
  H  H86  1  0.230737  0.396711  0.350788  1
  H  H87  1  0.164934  0.734287  0.363478  1
  H  H88  1  0.564070  0.063378  0.350788  1
  H  H89  1  0.498267  0.400954  0.363478  1
  H  H90  1  0.831600  0.067621  0.363478  1
  H  H91  1  0.315507  0.653155  0.366640  1
  H  H92  1  0.648840  0.319822  0.366640  1
  H  H93  1  0.781142  0.641703  0.343452  1
  H  H94  1  0.982173  0.986489  0.366640  1
  H  H95  1  0.114475  0.308370  0.343452  1
  H  H96  1  0.046176  0.648012  0.355860  1
  H  H97  1  0.447809  0.975037  0.343452  1
  H  H98  1  0.379510  0.314679  0.355860  1
  H  H99  1  0.712843  0.981345  0.355860  1
  H  H100  1  0.550205  0.830414  0.381105  1
  H  H101  1  0.883538  0.497081  0.381105  1
  H  H102  1  0.013654  0.815906  0.359058  1
  H  H103  1  0.216872  0.163747  0.381105  1
  H  H104  1  0.346987  0.482572  0.359058  1
  H  H105  1  0.282446  0.822627  0.370516  1
  H  H106  1  0.680321  0.149239  0.359058  1
  H  H107  1  0.615780  0.489294  0.370516  1
  H  H108  1  0.949113  0.155960  0.370516  1
  H  H109  1  0.204454  0.924487  0.413059  1
  H  H110  1  0.537788  0.591154  0.413059  1
  H  H111  1  0.663383  0.919685  0.390778  1
  H  H112  1  0.871121  0.257821  0.413059  1
  H  H113  1  0.996716  0.586352  0.390778  1
  H  H114  1  0.934310  0.924581  0.402002  1
  H  H115  1  0.330050  0.253019  0.390778  1
  H  H116  1  0.267644  0.591247  0.402002  1
  H  H117  1  0.600977  0.257914  0.402002  1
  H  H118  1  0.237135  0.758823  0.407778  1
  H  H119  1  0.570469  0.425490  0.407778  1
  H  H120  1  0.700314  0.750061  0.384128  1
  H  H121  1  0.903802  0.092157  0.407778  1
  H  H122  1  0.033648  0.416728  0.384128  1
  H  H123  1  0.968026  0.756353  0.396154  1
  H  H124  1  0.366981  0.083395  0.384128  1
  H  H125  1  0.301359  0.423020  0.396154  1
  H  H126  1  0.634693  0.089687  0.396154  1
  H  H127  1  0.117059  0.674163  0.400426  1
  H  H128  1  0.450392  0.340830  0.400426  1
  H  H129  1  0.583041  0.660661  0.376774  1
  H  H130  1  0.783725  1.007497  0.400426  1
  H  H131  1  0.916375  0.327327  0.376774  1
  H  H132  1  0.848408  0.669173  0.388523  1
  H  H133  1  0.249708  0.993994  0.376774  1
  H  H134  1  0.181742  0.335839  0.388523  1
  H  H135  1  0.515075  1.002506  0.388523  1
  H  H136  1  0.355775  0.840428  0.415669  1
  H  H137  1  0.689108  0.507094  0.415669  1
  H  H138  1  0.816675  0.837747  0.392905  1
  H  H139  1  0.022442  0.173761  0.415669  1
  H  H140  1  0.150008  0.504414  0.392905  1
  H  H141  1  0.086197  0.841515  0.404280  1
  H  H142  1  0.483341  0.171081  0.392905  1
  H  H143  1  0.419530  0.508182  0.404280  1
  H  H144  1  0.752863  0.174849  0.404280  1
  H  H145  1  0.025056  0.898975  0.445897  1
  H  H146  1  0.358389  0.565642  0.445897  1
  H  H147  1  0.474913  0.918545  0.424757  1
  H  H148  1  0.691722  0.232308  0.445897  1
  H  H149  1  0.808247  0.585211  0.424757  1
  H  H150  1  0.751779  0.908333  0.435592  1
  H  H151  1  0.141580  0.251878  0.424757  1
  H  H152  1  0.085112  0.575000  0.435592  1
  H  H153  1  0.418445  0.241666  0.435592  1
  H  H154  1  0.054632  0.736856  0.441194  1
  H  H155  1  0.387965  0.403523  0.441194  1
  H  H156  1  0.506834  0.755779  0.418583  1
  H  H157  1  0.721299  0.070190  0.441194  1
  H  H158  1  0.840167  0.422446  0.418583  1
  H  H159  1  0.780399  0.746561  0.429845  1
  H  H160  1  0.173500  0.089113  0.418583  1
  H  H161  1  0.113732  0.413227  0.429845  1
  H  H162  1  0.447065  0.079894  0.429845  1
  H  H163  1  0.931016  0.660600  0.433860  1
  H  H164  1  0.264349  0.327266  0.433860  1
  H  H165  1  0.387152  0.675058  0.411159  1
  H  H166  1  0.597683  0.993933  0.433860  1
  H  H167  1  0.720485  0.341724  0.411159  1
  H  H168  1  0.655611  0.670126  0.422466  1
  H  H169  1  0.053819  1.008391  0.411159  1
  H  H170  1  0.988945  0.336793  0.422466  1
  H  H171  1  0.322278  1.003459  0.422466  1
  H  H172  1  0.174480  0.814529  0.448987  1
  H  H173  1  0.507813  0.481195  0.448987  1
  H  H174  1  0.628117  0.832716  0.427110  1
  H  H175  1  0.841147  0.147862  0.448987  1
  H  H176  1  0.961451  0.499383  0.427110  1
  H  H177  1  0.903522  0.822192  0.438039  1
  H  H178  1  0.294784  0.166050  0.427110  1
  H  H179  1  0.236856  0.488859  0.438039  1
  H  H180  1  0.570189  0.155526  0.438039  1
  H  H181  1  0.838906  0.876388  0.478886  1
  H  H182  1  0.172239  0.543055  0.478886  1
  H  H183  1  0.293650  0.892484  0.457312  1
  H  H184  1  0.505573  0.209721  0.478886  1
  H  H185  1  0.626983  0.559150  0.457312  1
  H  H186  1  0.565156  0.884448  0.467906  1
  H  H187  1  0.960317  0.225817  0.457312  1
  H  H188  1  0.898489  0.551114  0.467906  1
  H  H189  1  0.231823  0.217781  0.467906  1
  H  H190  1  0.863415  0.714217  0.473732  1
  H  H191  1  0.196748  0.380883  0.473732  1
  H  H192  1  0.324915  0.729266  0.451783  1
  H  H193  1  0.530081  0.047550  0.473732  1
  H  H194  1  0.658248  0.395932  0.451783  1
  H  H195  1  0.592959  0.722963  0.462447  1
  H  H196  1  0.991581  0.062599  0.451783  1
  H  H197  1  0.926293  0.389630  0.462447  1
  H  H198  1  0.259626  0.056297  0.462447  1
  H  H199  1  0.741426  0.636226  0.466218  1
  H  H200  1  0.074760  0.302892  0.466218  1
  H  H201  1  0.208157  0.650942  0.444347  1
  H  H202  1  0.408093  0.969559  0.466218  1
  H  H203  1  0.541490  0.317609  0.444347  1
  H  H204  1  0.478360  0.643062  0.456164  1
  H  H205  1  0.874824  0.984275  0.444347  1
  H  H206  1  0.811693  0.309729  0.456164  1
  H  H207  1  0.145026  0.976395  0.456164  1
  H  H208  1  0.987893  0.792010  0.481900  1
  H  H209  1  0.321226  0.458677  0.481900  1
  H  H210  1  0.442537  0.807516  0.459720  1
  H  H211  1  0.654559  0.125344  0.481900  1
  H  H212  1  0.775871  0.474183  0.459720  1
  H  H213  1  0.715160  0.799691  0.470633  1
  H  H214  1  0.109204  0.140849  0.459720  1
  H  H215  1  0.048493  0.466358  0.470633  1
  H  H216  1  0.381827  0.133025  0.470633  1
  H  H217  1  0.763622  0.929102  0.519057  1
  H  H218  1  0.096955  0.595768  0.519057  1
  H  H219  1  0.113965  0.871849  0.490279  1
  H  H220  1  0.430289  0.262435  0.519057  1
  H  H221  1  0.447298  0.538516  0.490279  1
  H  H222  1  0.485966  0.937391  0.508054  1
  H  H223  1  0.780631  0.205183  0.490279  1
  H  H224  1  0.819299  0.604058  0.508054  1
  H  H225  1  0.152632  0.270725  0.508054  1
  H  H226  1  0.525494  0.774486  0.503071  1
  H  H227  1  0.858828  0.441153  0.503071  1
  H  H228  1  0.135301  0.705302  0.484527  1
  H  H229  1  0.192161  0.107819  0.503071  1
  H  H230  1  0.468635  0.371969  0.484527  1
  H  H231  1  0.405040  0.697207  0.495250  1
  H  H232  1  0.801968  0.038636  0.484527  1
  H  H233  1  0.738373  0.363874  0.495250  1
  H  H234  1  0.071706  0.030540  0.495250  1
  H  H235  1  0.667315  0.685294  0.505336  1
  H  H236  1  0.000649  0.351961  0.505336  1
  H  H237  1  0.017658  0.628042  0.476558  1
  H  H238  1  0.333982  0.018627  0.505336  1
  H  H239  1  0.350991  0.294709  0.476558  1
  H  H240  1  0.295314  0.619752  0.487561  1
  H  H241  1  0.684325  0.961375  0.476558  1
  H  H242  1  0.628647  0.286419  0.487561  1
  H  H243  1  0.961981  0.953086  0.487561  1
  H  H244  1  0.645979  0.851841  0.511087  1
  H  H245  1  0.979312  0.518508  0.511087  1
  H  H246  1  0.255786  0.782657  0.492544  1
  H  H247  1  0.312645  0.185174  0.511087  1
  H  H248  1  0.589119  0.449324  0.492544  1
  H  H249  1  0.376240  0.859937  0.500365  1
  H  H250  1  0.922452  0.115991  0.492544  1
  H  H251  1  0.709574  0.526603  0.500365  1
  H  H252  1  0.042907  0.193270  0.500365  1
  H  H253  1  0.573123  0.906201  0.551268  1
  H  H254  1  0.906456  0.572868  0.551268  1
  H  H255  1  0.039854  0.920918  0.529397  1
  H  H256  1  0.239790  0.239535  0.551268  1
  H  H257  1  0.373187  0.587585  0.529397  1
  H  H258  1  0.302920  0.914081  0.539451  1
  H  H259  1  0.706520  0.254251  0.529397  1
  H  H260  1  0.636254  0.580748  0.539451  1
  H  H261  1  0.969587  0.247415  0.539451  1
  H  H262  1  0.338743  0.749627  0.535895  1
  H  H263  1  0.672076  0.416294  0.535895  1
  H  H264  1  0.793387  0.765133  0.513715  1
  H  H265  1  0.005409  0.082961  0.535895  1
  H  H266  1  0.126721  0.431800  0.513715  1
  H  H267  1  0.066120  0.757452  0.524982  1
  H  H268  1  0.460054  0.098467  0.513715  1
  H  H269  1  0.399453  0.424119  0.524982  1
  H  H270  1  0.732787  0.090785  0.524982  1
  H  H271  1  0.487630  0.664660  0.538303  1
  H  H272  1  0.820963  0.331327  0.538303  1
  H  H273  1  0.942374  0.680755  0.516728  1
  H  H274  1  0.154297  0.997993  0.538303  1
  H  H275  1  0.275707  0.347422  0.516728  1
  H  H276  1  0.216124  0.672696  0.527708  1
  H  H277  1  0.609041  0.014089  0.516728  1
  H  H278  1  0.549457  0.339363  0.527708  1
  H  H279  1  0.882791  1.006029  0.527708  1
  H  H280  1  0.456365  0.827878  0.543832  1
  H  H281  1  0.789698  0.494545  0.543832  1
  H  H282  1  0.917865  0.842927  0.521882  1
  H  H283  1  0.123032  0.161211  0.543832  1
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  H  H361  1  0.000138  0.915440  0.652163  1
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  H  H363  1  0.465773  0.903988  0.628975  1
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  H  H365  1  0.799106  0.570655  0.628975  1
  H  H366  1  0.735104  0.909132  0.639755  1
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  H  H372  1  0.231075  0.726729  0.614510  1
  H  H373  1  0.434293  0.074571  0.636557  1
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  H  H375  1  0.498834  0.734516  0.625099  1
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  H  H377  1  0.832167  0.401183  0.625099  1
  H  H378  1  0.165500  0.067850  0.625099  1
  H  H379  1  0.920215  0.658679  0.638258  1
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  H  H381  1  0.383042  0.645407  0.616917  1
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  H  H393  1  0.616346  0.822856  0.632136  1
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  H  H467  1  0.559917  0.527534  0.700087  1
  H  H468  1  0.893251  0.194200  0.700087  1
