# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46439043
_cell_length_b   27.09347403
_cell_length_c   22.88687146
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H503
_cell_volume   4628.5554743
_cell_formula_units_Z   251
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  0.973822  0.332744  0.323839  1
  H  H2  1  0.973822  0.303954  0.658307  1
  H  H3  1  0.973822  0.443702  -0.010188  1
  H  H4  1  0.973822  0.475555  0.323162  1
  H  H5  1  0.973822  0.446827  0.656556  1
  H  H6  1  0.973822  0.587998  -0.009637  1
  H  H7  1  0.973822  0.618460  0.323542  1
  H  H8  1  0.973822  0.589732  0.656878  1
  H  H9  1  0.973822  0.731277  -0.009288  1
  H  H10  1  0.973822  0.761370  0.324093  1
  H  H11  1  0.973822  0.732589  0.657414  1
  H  H12  1  0.973822  0.874965  -0.008741  1
  H  H13  1  0.973822  0.904225  0.324656  1
  H  H14  1  0.973822  0.875455  0.657986  1
  H  H15  1  0.973822  1.018262  -0.008323  1
  H  H16  1  0.973822  1.047067  0.325279  1
  H  H17  1  0.973822  1.018296  0.658601  1
  H  H18  1  0.973822  1.162687  -0.007696  1
  H  H19  1  0.973822  1.189914  0.325773  1
  H  H20  1  0.973822  1.161188  0.659162  1
  H  H21  1  0.314982  0.303152  -0.008668  1
  H  H22  1  0.307490  0.332685  0.323618  1
  H  H23  1  0.307560  0.303921  0.658574  1
  H  H24  1  0.302110  0.443719  -0.010064  1
  H  H25  1  0.307318  0.475585  0.323154  1
  H  H26  1  0.307228  0.446899  0.656456  1
  H  H27  1  0.307748  0.587543  -0.009754  1
  H  H28  1  0.307096  0.618489  0.323577  1
  H  H29  1  0.307096  0.589726  0.656890  1
  H  H30  1  0.307199  0.731375  -0.009253  1
  H  H31  1  0.307140  0.761357  0.324085  1
  H  H32  1  0.307161  0.732582  0.657419  1
  H  H33  1  0.307189  0.874860  -0.008787  1
  H  H34  1  0.307144  0.904218  0.324656  1
  H  H35  1  0.307167  0.875445  0.657987  1
  H  H36  1  0.307838  1.018729  -0.008214  1
  H  H37  1  0.307213  1.047064  0.325266  1
  H  H38  1  0.307152  1.018323  0.658581  1
  H  H39  1  0.301830  1.162640  -0.007606  1
  H  H40  1  0.307157  1.189947  0.325821  1
  H  H41  1  0.307149  1.161173  0.659157  1
  H  H42  1  0.632661  0.303152  -0.008668  1
  H  H43  1  0.640153  0.332685  0.323618  1
  H  H44  1  0.640083  0.303921  0.658574  1
  H  H45  1  0.645533  0.443719  -0.010064  1
  H  H46  1  0.640325  0.475585  0.323154  1
  H  H47  1  0.640415  0.446899  0.656456  1
  H  H48  1  0.639895  0.587543  -0.009754  1
  H  H49  1  0.640548  0.618489  0.323577  1
  H  H50  1  0.640547  0.589726  0.656890  1
  H  H51  1  0.640444  0.731375  -0.009253  1
  H  H52  1  0.640503  0.761357  0.324085  1
  H  H53  1  0.640483  0.732582  0.657419  1
  H  H54  1  0.640454  0.874860  -0.008787  1
  H  H55  1  0.640499  0.904218  0.324656  1
  H  H56  1  0.640476  0.875445  0.657987  1
  H  H57  1  0.639806  1.018729  -0.008214  1
  H  H58  1  0.640430  1.047064  0.325266  1
  H  H59  1  0.640492  1.018323  0.658581  1
  H  H60  1  0.645813  1.162640  -0.007606  1
  H  H61  1  0.640487  1.189947  0.325821  1
  H  H62  1  0.640494  1.161173  0.659157  1
  H  H63  1  0.132841  0.315812  0.069871  1
  H  H64  1  0.140614  0.317727  0.407568  1
  H  H65  1  0.139977  0.288775  0.742219  1
  H  H66  1  0.140201  0.460623  0.073378  1
  H  H67  1  0.140512  0.460570  0.406495  1
  H  H68  1  0.141138  0.431828  0.739745  1
  H  H69  1  0.141128  0.603475  0.073551  1
  H  H70  1  0.140477  0.603380  0.406871  1
  H  H71  1  0.140385  0.574579  0.740189  1
  H  H72  1  0.140359  0.746723  0.074037  1
  H  H73  1  0.140484  0.746211  0.407394  1
  H  H74  1  0.140475  0.717418  0.740711  1
  H  H75  1  0.140616  0.889809  0.074565  1
  H  H76  1  0.140482  0.889042  0.407960  1
  H  H77  1  0.140446  0.860292  0.741273  1
  H  H78  1  0.140138  1.032578  0.075082  1
  H  H79  1  0.140506  1.031863  0.408563  1
  H  H80  1  0.140582  1.003192  0.741891  1
  H  H81  1  0.141227  1.174848  0.076023  1
  H  H82  1  0.140456  1.174687  0.409096  1
  H  H83  1  0.140654  1.145980  0.742452  1
  H  H84  1  0.473822  0.317638  0.074905  1
  H  H85  1  0.473822  0.317714  0.407585  1
  H  H86  1  0.473822  0.288579  0.742979  1
  H  H87  1  0.473822  0.459194  0.072639  1
  H  H88  1  0.473822  0.460567  0.406517  1
  H  H89  1  0.473822  0.431860  0.739809  1
  H  H90  1  0.473822  0.603574  0.073570  1
  H  H91  1  0.473822  0.603390  0.406880  1
  H  H92  1  0.473822  0.574648  0.740180  1
  H  H93  1  0.473822  0.746770  0.074061  1
  H  H94  1  0.473822  0.746213  0.407389  1
  H  H95  1  0.473822  0.717409  0.740717  1
  H  H96  1  0.473822  0.889823  0.074554  1
  H  H97  1  0.473822  0.889040  0.407957  1
  H  H98  1  0.473822  0.860267  0.741282  1
  H  H99  1  0.473822  1.032648  0.075168  1
  H  H100  1  0.473822  1.031857  0.408570  1
  H  H101  1  0.473822  1.003159  0.741834  1
  H  H102  1  0.473822  1.174532  0.075437  1
  H  H103  1  0.473822  1.174689  0.409106  1
  H  H104  1  0.473822  1.146203  0.742527  1
  H  H105  1  0.814802  0.315812  0.069871  1
  H  H106  1  0.807029  0.317727  0.407568  1
  H  H107  1  0.807666  0.288775  0.742219  1
  H  H108  1  0.807443  0.460623  0.073378  1
  H  H109  1  0.807131  0.460570  0.406495  1
  H  H110  1  0.806505  0.431828  0.739745  1
  H  H111  1  0.806515  0.603475  0.073551  1
  H  H112  1  0.807167  0.603380  0.406871  1
  H  H113  1  0.807258  0.574579  0.740189  1
  H  H114  1  0.807285  0.746723  0.074037  1
  H  H115  1  0.807160  0.746211  0.407394  1
  H  H116  1  0.807169  0.717418  0.740711  1
  H  H117  1  0.807028  0.889809  0.074565  1
  H  H118  1  0.807162  0.889042  0.407960  1
  H  H119  1  0.807198  0.860292  0.741273  1
  H  H120  1  0.807506  1.032578  0.075082  1
  H  H121  1  0.807137  1.031863  0.408563  1
  H  H122  1  0.807062  1.003192  0.741891  1
  H  H123  1  0.806416  1.174848  0.076023  1
  H  H124  1  0.807188  1.174687  0.409096  1
  H  H125  1  0.806990  1.145980  0.742452  1
  H  H126  1  0.973822  0.301804  0.157032  1
  H  H127  1  0.973822  0.303158  0.491275  1
  H  H128  1  -0.026178  0.274092  0.826939  1
  H  H129  1  0.973822  0.444546  0.156726  1
  H  H130  1  0.973822  0.446146  0.489854  1
  H  H131  1  0.973822  0.417161  0.822573  1
  H  H132  1  0.973822  0.587578  0.156806  1
  H  H133  1  -0.026178  0.589007  0.490165  1
  H  H134  1  0.973822  0.559417  0.823508  1
  H  H135  1  0.973822  0.730517  0.157303  1
  H  H136  1  0.973822  0.731836  0.490684  1
  H  H137  1  0.973822  0.702197  0.824022  1
  H  H138  1  0.973822  0.873590  0.157839  1
  H  H139  1  0.973822  0.874661  0.491251  1
  H  H140  1  0.973822  0.844987  0.824548  1
  H  H141  1  0.973822  1.016533  0.158459  1
  H  H142  1  -0.026178  1.017473  0.491847  1
  H  H143  1  0.973822  0.988146  0.825239  1
  H  H144  1  0.973822  1.159449  0.159165  1
  H  H145  1  0.973822  1.160257  0.492410  1
  H  H146  1  0.973822  1.130783  0.825538  1
  H  H147  1  0.304463  0.302116  0.156478  1
  H  H148  1  0.307183  0.303155  0.491275  1
  H  H149  1  0.302672  0.274155  0.826869  1
  H  H150  1  0.306635  0.444393  0.156226  1
  H  H151  1  0.307114  0.446153  0.489846  1
  H  H152  1  0.307877  0.416731  0.823216  1
  H  H153  1  0.307465  0.587422  0.156829  1
  H  H154  1  0.307148  0.589001  0.490170  1
  H  H155  1  0.307123  0.559535  0.823502  1
  H  H156  1  0.307150  0.730572  0.157319  1
  H  H157  1  0.307163  0.731837  0.490683  1
  H  H158  1  0.307150  0.702178  0.824011  1
  H  H159  1  0.307178  0.873595  0.157856  1
  H  H160  1  0.307155  0.874663  0.491247  1
  H  H161  1  0.307049  0.845027  0.824566  1
  H  H162  1  0.306935  1.016534  0.158427  1
  H  H163  1  0.307146  1.017471  0.491853  1
  H  H164  1  0.307118  0.987888  0.825092  1
  H  H165  1  0.307983  1.159234  0.159127  1
  H  H166  1  0.307146  1.160253  0.492405  1
  H  H167  1  0.308640  1.131162  0.825885  1
  H  H168  1  0.643181  0.302116  0.156478  1
  H  H169  1  0.640461  0.303155  0.491275  1
  H  H170  1  0.644972  0.274155  0.826869  1
  H  H171  1  0.641008  0.444393  0.156226  1
  H  H172  1  0.640530  0.446153  0.489846  1
  H  H173  1  0.639767  0.416731  0.823216  1
  H  H174  1  0.640179  0.587422  0.156829  1
  H  H175  1  0.640496  0.589001  0.490170  1
  H  H176  1  0.640521  0.559535  0.823502  1
  H  H177  1  0.640494  0.730572  0.157319  1
  H  H178  1  0.640480  0.731837  0.490683  1
  H  H179  1  0.640493  0.702178  0.824011  1
  H  H180  1  0.640465  0.873595  0.157856  1
  H  H181  1  0.640489  0.874663  0.491247  1
  H  H182  1  0.640594  0.845027  0.824566  1
  H  H183  1  0.640709  1.016534  0.158427  1
  H  H184  1  0.640498  1.017471  0.491853  1
  H  H185  1  0.640525  0.987888  0.825092  1
  H  H186  1  0.639661  1.159234  0.159127  1
  H  H187  1  0.640498  1.160253  0.492405  1
  H  H188  1  0.639003  1.131162  0.825885  1
  H  H189  1  0.140277  0.317222  0.240470  1
  H  H190  1  0.140661  0.288051  0.575060  1
  H  H191  1  0.132693  0.291293  0.913001  1
  H  H192  1  0.140748  0.460069  0.239849  1
  H  H193  1  0.140472  0.430867  0.573215  1
  H  H194  1  0.141231  0.431999  0.906226  1
  H  H195  1  0.140577  0.602999  0.240161  1
  H  H196  1  0.140473  0.573779  0.573468  1
  H  H197  1  0.140139  0.574374  0.906972  1
  H  H198  1  0.140434  0.745989  0.240688  1
  H  H199  1  0.140490  0.716656  0.573983  1
  H  H200  1  0.140623  0.717137  0.907420  1
  H  H201  1  0.140470  0.888907  0.241242  1
  H  H202  1  0.140494  0.859512  0.574550  1
  H  H203  1  0.140294  0.860211  0.907946  1
  H  H204  1  0.140483  1.031792  0.241866  1
  H  H205  1  0.140478  1.002362  0.575150  1
  H  H206  1  0.141262  1.003461  0.908531  1
  H  H207  1  0.140746  1.174582  0.242554  1
  H  H208  1  0.140468  1.145218  0.575738  1
  H  H209  1  0.140293  1.146246  0.908763  1
  H  H210  1  0.473822  0.317248  0.239727  1
  H  H211  1  0.473822  0.288037  0.575065  1
  H  H212  1  0.473822  0.289158  0.907552  1
  H  H213  1  0.473822  0.459945  0.239645  1
  H  H214  1  0.473822  0.430881  0.573163  1
  H  H215  1  0.473822  0.432334  0.906955  1
  H  H216  1  0.473822  0.603068  0.240224  1
  H  H217  1  0.473822  0.573788  0.573470  1
  H  H218  1  0.473822  0.574282  0.906891  1
  H  H219  1  0.473822  0.745994  0.240691  1
  H  H220  1  0.473822  0.716651  0.573988  1
  H  H221  1  0.473822  0.717129  0.907424  1
  H  H222  1  0.473822  0.888910  0.241251  1
  H  H223  1  0.473822  0.859511  0.574548  1
  H  H224  1  0.473822  0.860157  0.907920  1
  H  H225  1  0.473822  1.031733  0.241828  1
  H  H226  1  0.473822  1.002367  0.575147  1
  H  H227  1  0.473822  1.003317  0.908424  1
  H  H228  1  0.473822  1.174708  0.242529  1
  H  H229  1  0.473822  1.145202  0.575728  1
  H  H230  1  0.473822  1.147873  0.909846  1
  H  H231  1  0.807367  0.317222  0.240470  1
  H  H232  1  0.806983  0.288051  0.575060  1
  H  H233  1  0.814951  0.291293  0.913001  1
  H  H234  1  0.806896  0.460069  0.239849  1
  H  H235  1  0.807172  0.430867  0.573215  1
  H  H236  1  0.806413  0.431999  0.906226  1
  H  H237  1  0.807066  0.602999  0.240161  1
  H  H238  1  0.807170  0.573779  0.573468  1
  H  H239  1  0.807504  0.574374  0.906972  1
  H  H240  1  0.807209  0.745989  0.240688  1
  H  H241  1  0.807153  0.716656  0.573983  1
  H  H242  1  0.807021  0.717137  0.907420  1
  H  H243  1  0.807173  0.888907  0.241242  1
  H  H244  1  0.807150  0.859512  0.574550  1
  H  H245  1  0.807349  0.860211  0.907946  1
  H  H246  1  0.807161  1.031792  0.241866  1
  H  H247  1  0.807166  1.002362  0.575150  1
  H  H248  1  0.806381  1.003461  0.908531  1
  H  H249  1  0.806898  1.174582  0.242554  1
  H  H250  1  0.807176  1.145218  0.575738  1
  H  H251  1  0.807351  1.146246  0.908763  1
  H  H252  1  0.131714  0.237054  -0.006214  1
  H  H253  1  0.140371  0.261374  0.325399  1
  H  H254  1  0.140639  0.232583  0.659173  1
  H  H255  1  0.132254  0.369481  -0.011190  1
  H  H256  1  0.140582  0.404108  0.323107  1
  H  H257  1  0.140584  0.375395  0.656816  1
  H  H258  1  0.139682  0.516090  -0.009854  1
  H  H259  1  0.140535  0.547012  0.323322  1
  H  H260  1  0.140430  0.518289  0.656675  1
  H  H261  1  0.140945  0.659546  -0.009496  1
  H  H262  1  0.140430  0.689925  0.323818  1
  H  H263  1  0.140479  0.661161  0.657138  1
  H  H264  1  0.140355  0.803117  -0.009023  1
  H  H265  1  0.140489  0.832796  0.324368  1
  H  H266  1  0.140489  0.804017  0.657699  1
  H  H267  1  0.140971  0.946706  -0.008502  1
  H  H268  1  0.140493  0.975648  0.324959  1
  H  H269  1  0.140517  0.946881  0.658284  1
  H  H270  1  0.139726  1.090200  -0.008076  1
  H  H271  1  0.140552  1.118480  0.325593  1
  H  H272  1  0.140420  1.089738  0.658899  1
  H  H273  1  0.473822  0.231554  -0.007808  1
  H  H274  1  0.473822  0.261389  0.325449  1
  H  H275  1  0.473822  0.232556  0.659257  1
  H  H276  1  0.473822  0.374712  -0.009949  1
  H  H277  1  0.473822  0.404132  0.323021  1
  H  H278  1  0.473822  0.375479  0.656779  1
  H  H279  1  0.473822  0.515099  -0.010006  1
  H  H280  1  0.473822  0.547065  0.323371  1
  H  H281  1  0.473822  0.518329  0.656622  1
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  H  H339  1  0.303083  0.387892  0.072375  1
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  H  H345  1  0.307233  0.675195  0.073814  1
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  H  H354  1  0.306665  1.103694  0.075418  1
  H  H355  1  0.307173  1.103270  0.408879  1
  H  H356  1  0.307340  1.074665  0.742155  1
  H  H357  1  0.638984  0.245840  0.075798  1
  H  H358  1  0.640524  0.246151  0.408855  1
  H  H359  1  0.640319  0.217456  0.742859  1
  H  H360  1  0.644561  0.387892  0.072375  1
  H  H361  1  0.640427  0.389165  0.406623  1
  H  H362  1  0.640229  0.360342  0.740175  1
  H  H363  1  0.639517  0.531692  0.073266  1
  H  H364  1  0.640493  0.531975  0.406662  1
  H  H365  1  0.640294  0.503264  0.739942  1
  H  H366  1  0.640410  0.675195  0.073814  1
  H  H367  1  0.640498  0.674800  0.407124  1
  H  H368  1  0.640583  0.646000  0.740447  1
  H  H369  1  0.640521  0.818290  0.074298  1
  H  H370  1  0.640492  0.817627  0.407669  1
  H  H371  1  0.640495  0.788843  0.740992  1
  H  H372  1  0.640426  0.961297  0.074840  1
  H  H373  1  0.640490  0.960451  0.408257  1
  H  H374  1  0.640508  0.931709  0.741567  1
  H  H375  1  0.640979  1.103694  0.075418  1
  H  H376  1  0.640471  1.103270  0.408879  1
  H  H377  1  0.640303  1.074665  0.742155  1
  H  H378  1  0.142261  0.230416  0.159988  1
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  H  H380  1  0.140389  0.202188  0.825714  1
  H  H381  1  0.139992  0.372846  0.155993  1
  H  H382  1  0.140533  0.374683  0.490177  1
  H  H383  1  0.141053  0.345487  0.823462  1
  H  H384  1  0.140565  0.516060  0.156661  1
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  H  H387  1  0.140654  0.659007  0.157046  1
  H  H388  1  0.140498  0.660422  0.490416  1
  H  H389  1  0.140359  0.630815  0.823765  1
  H  H390  1  0.140458  0.802077  0.157576  1
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  H  H396  1  0.140317  1.088008  0.158779  1
  H  H397  1  0.140483  1.088867  0.492158  1
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  H  H399  1  0.473822  0.230953  0.159390  1
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  H  H453  1  -0.026178  0.817460  0.240963  1
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  H  H459  1  0.973822  1.103218  0.242212  1
  H  H460  1  0.973822  1.073786  0.575455  1
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  H  H462  1  0.307478  0.246198  0.242502  1
  H  H463  1  0.307223  0.216625  0.575773  1
  H  H464  1  0.301847  0.219042  0.910129  1
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  H  H466  1  0.307185  0.359406  0.573728  1
  H  H467  1  0.308876  0.360795  0.906522  1
  H  H468  1  0.307440  0.531526  0.239960  1
  H  H469  1  0.307122  0.502341  0.573252  1
  H  H470  1  0.306679  0.503224  0.906771  1
  H  H471  1  0.307108  0.674527  0.240441  1
  H  H472  1  0.307152  0.645220  0.573720  1
  H  H473  1  0.307215  0.645649  0.907156  1
  H  H474  1  0.307140  0.817454  0.240961  1
  H  H475  1  0.307158  0.788083  0.574263  1
  H  H476  1  0.307110  0.788654  0.907682  1
  H  H477  1  0.307102  0.960341  0.241541  1
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  H  H479  1  0.307176  0.931714  0.908172  1
  H  H480  1  0.307319  1.103182  0.242169  1
  H  H481  1  0.307125  1.073789  0.575459  1
  H  H482  1  0.308506  1.075254  0.908878  1
  H  H483  1  0.640166  0.246198  0.242502  1
  H  H484  1  0.640420  0.216625  0.575773  1
  H  H485  1  0.645797  0.219042  0.910129  1
  H  H486  1  0.640742  0.388526  0.239573  1
  H  H487  1  0.640458  0.359406  0.573728  1
  H  H488  1  0.638767  0.360795  0.906522  1
  H  H489  1  0.640203  0.531526  0.239960  1
  H  H490  1  0.640521  0.502341  0.573252  1
  H  H491  1  0.640965  0.503224  0.906771  1
  H  H492  1  0.640535  0.674527  0.240441  1
  H  H493  1  0.640491  0.645220  0.573720  1
  H  H494  1  0.640429  0.645649  0.907156  1
  H  H495  1  0.640504  0.817454  0.240961  1
  H  H496  1  0.640485  0.788083  0.574263  1
  H  H497  1  0.640534  0.788654  0.907682  1
  H  H498  1  0.640542  0.960341  0.241541  1
  H  H499  1  0.640484  0.930939  0.574843  1
  H  H500  1  0.640467  0.931714  0.908172  1
  H  H501  1  0.640325  1.103182  0.242169  1
  H  H502  1  0.640519  1.073789  0.575459  1
  H  H503  1  0.639137  1.075254  0.908878  1
