# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28387836
_cell_length_b   49.00115421
_cell_length_c   56.93693914
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.96152509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H792
_cell_volume   17507.2212275
_cell_formula_units_Z   396
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  0.368953  0.864938  0.192043  1
  H  H2  1  1.069182  0.700177  0.196458  1
  H  H3  1  0.997645  0.867066  0.204272  1
  H  H4  1  0.379983  0.365855  0.195389  1
  H  H5  1  0.355844  0.535447  0.208133  1
  H  H6  1  0.341604  0.704089  0.222629  1
  H  H7  1  0.723891  0.532961  0.195985  1
  H  H8  1  0.701237  0.702571  0.208616  1
  H  H9  1  0.638047  0.869317  0.218738  1
  H  H10  1  1.036836  0.198803  0.194772  1
  H  H11  1  1.011898  0.368336  0.207538  1
  H  H12  1  0.996299  0.536944  0.222162  1
  H  H13  1  0.328091  0.034360  0.206147  1
  H  H14  1  0.309108  0.202770  0.220968  1
  H  H15  1  0.696470  0.031825  0.194012  1
  H  H16  1  0.668725  0.201291  0.206915  1
  H  H17  1  0.652333  0.369824  0.221578  1
  H  H18  1  0.968288  0.035759  0.220247  1
  H  H19  1  0.452712  0.741481  0.200437  1
  H  H20  1  1.105882  0.574433  0.200031  1
  H  H21  1  1.087268  0.744418  0.213212  1
  H  H22  1  0.418242  0.240243  0.198850  1
  H  H23  1  0.395775  0.409987  0.212245  1
  H  H24  1  0.384332  0.579682  0.225746  1
  H  H25  1  0.761695  0.407303  0.199449  1
  H  H26  1  0.739988  0.577112  0.212822  1
  H  H27  1  0.732009  0.747063  0.226053  1
  H  H28  1  1.076332  0.073243  0.198150  1
  H  H29  1  1.052265  0.242915  0.211653  1
  H  H30  1  1.040137  0.412554  0.225167  1
  H  H31  1  0.373733  0.908979  0.209620  1
  H  H32  1  0.354633  0.078500  0.223896  1
  H  H33  1  0.740020  0.906345  0.196747  1
  H  H34  1  0.710154  0.075893  0.210965  1
  H  H35  1  0.696637  0.245486  0.224578  1
  H  H36  1  1.017606  0.911247  0.222593  1
  H  H37  1  0.518640  0.788018  0.222606  1
  H  H38  1  0.168660  0.620530  0.222426  1
  H  H39  1  0.246397  0.783817  0.196485  1
  H  H40  1  0.480577  0.286289  0.221278  1
  H  H41  1  0.551872  0.449399  0.195689  1
  H  H42  1  0.528143  0.619012  0.208408  1
  H  H43  1  0.824242  0.453375  0.221873  1
  H  H44  1  0.896146  0.616539  0.196261  1
  H  H45  1  0.878780  0.786786  0.208648  1
  H  H46  1  1.138163  0.119265  0.220634  1
  H  H47  1  0.208242  0.282322  0.195088  1
  H  H48  1  0.183799  0.451885  0.207837  1
  H  H49  1  0.528716  0.948444  0.193435  1
  H  H50  1  0.497845  0.117803  0.206568  1
  H  H51  1  0.800336  0.952192  0.219718  1
  H  H52  1  0.865996  0.115297  0.194431  1
  H  H53  1  0.840154  0.284802  0.207235  1
  H  H54  1  0.159904  0.950852  0.205615  1
  H  H55  1  0.624115  0.825607  0.200122  1
  H  H56  1  0.278679  0.658040  0.200299  1
  H  H57  1  0.255322  0.827652  0.213369  1
  H  H58  1  0.589882  0.323765  0.199154  1
  H  H59  1  0.567746  0.493542  0.212535  1
  H  H60  1  0.557246  0.663249  0.226003  1
  H  H61  1  0.933665  0.490860  0.199742  1
  H  H62  1  0.912937  0.660705  0.213077  1
  H  H63  1  0.898448  0.830370  0.226646  1
  H  H64  1  0.246996  0.156736  0.198525  1
  H  H65  1  0.223952  0.326447  0.211953  1
  H  H66  1  0.212109  0.496111  0.225457  1
  H  H67  1  0.540747  -0.007553  0.210482  1
  H  H68  1  0.525349  0.161983  0.224259  1
  H  H69  1  0.906937  -0.010256  0.197658  1
  H  H70  1  0.880948  0.159400  0.211333  1
  H  H71  1  0.868308  0.329012  0.224876  1
  H  H72  1  0.185191  -0.004978  0.223405  1
  H  H73  1  0.271666  0.871917  0.231577  1
  H  H74  1  0.975348  0.707086  0.235682  1
  H  H75  1  0.908185  0.875213  0.244237  1
  H  H76  1  0.285999  0.372750  0.234659  1
  H  H77  1  0.266862  0.543312  0.247691  1
  H  H78  1  0.246045  0.713485  0.261083  1
  H  H79  1  0.629963  0.539872  0.235246  1
  H  H80  1  0.612465  0.710546  0.248099  1
  H  H81  1  0.541004  0.878167  0.257277  1
  H  H82  1  0.942718  0.205676  0.234050  1
  H  H83  1  0.922909  0.376191  0.247106  1
  H  H84  1  0.900532  0.546282  0.260654  1
  H  H85  1  0.238700  0.042095  0.245775  1
  H  H86  1  0.213230  0.212071  0.259474  1
  H  H87  1  0.601756  0.038626  0.233322  1
  H  H88  1  0.579645  0.209119  0.246501  1
  H  H89  1  0.556540  0.379150  0.260076  1
  H  H90  1  0.872054  0.045017  0.258763  1
  H  H91  1  0.363416  0.749757  0.239359  1
  H  H92  1  1.015566  0.582495  0.238980  1
  H  H93  1  0.999476  0.752735  0.252266  1
  H  H94  1  0.327825  0.248278  0.237816  1
  H  H95  1  0.307832  0.418452  0.251271  1
  H  H96  1  0.287681  0.588949  0.264363  1
  H  H97  1  0.671331  0.415353  0.238406  1
  H  H98  1  0.652084  0.585595  0.251841  1
  H  H99  1  0.634750  0.755972  0.264842  1
  H  H100  1  0.985729  0.081241  0.237126  1
  H  H101  1  0.964304  0.251365  0.250686  1
  H  H102  1  0.943429  0.421810  0.263790  1
  H  H103  1  0.284678  0.917279  0.248772  1
  H  H104  1  0.257598  0.087669  0.262534  1
  H  H105  1  0.648419  0.914228  0.235884  1
  H  H106  1  0.622110  0.084303  0.250013  1
  H  H107  1  0.599881  0.254721  0.263208  1
  H  H108  1  0.919763  0.920593  0.261354  1
  H  H109  1  0.421043  0.796774  0.261370  1
  H  H110  1  1.072889  0.629863  0.260921  1
  H  H111  1  0.151585  0.790625  0.235871  1
  H  H112  1  0.384762  0.295605  0.259781  1
  H  H113  1  0.457911  0.456303  0.234954  1
  H  H114  1  0.439205  0.626897  0.247957  1
  H  H115  1  0.728462  0.462709  0.260367  1
  H  H116  1  0.802348  0.623462  0.235514  1
  H  H117  1  0.787620  0.793830  0.248428  1
  H  H118  1  1.042175  0.128546  0.259145  1
  H  H119  1  1.114229  0.289209  0.234360  1
  H  H120  1  1.094822  0.459747  0.247400  1
  H  H121  1  0.433457  0.955154  0.232770  1
  H  H122  1  0.408671  0.125606  0.246168  1
  H  H123  1  0.703272  0.961500  0.258265  1
  H  H124  1  0.771708  0.122150  0.233717  1
  H  H125  1  0.751141  0.292649  0.246809  1
  H  H126  1  1.070203  0.958559  0.245243  1
  H  H127  1  0.529987  0.832879  0.239706  1
  H  H128  1  0.188383  0.666082  0.239251  1
  H  H129  1  0.166223  0.835824  0.252794  1
  H  H130  1  0.499498  0.331808  0.238116  1
  H  H131  1  0.479820  0.502013  0.251558  1
  H  H132  1  0.460628  0.672579  0.264616  1
  H  H133  1  0.843311  0.498914  0.238694  1
  H  H134  1  0.824983  0.669207  0.252102  1
  H  H135  1  0.799414  0.839266  0.265389  1
  H  H136  1  0.156495  0.164759  0.237496  1
  H  H137  1  1.135990  0.334903  0.250982  1
  H  H138  1  1.115412  0.505373  0.264078  1
  H  H139  1  0.452322  0.000771  0.249552  1
  H  H140  1  0.428476  0.171192  0.262894  1
  H  H141  1  0.816114  -0.002299  0.236645  1
  H  H142  1  0.792935  0.167833  0.250371  1
  H  H143  1  0.771582  0.338260  0.263503  1
  H  H144  1  1.087744  0.004128  0.262058  1
  H  H145  1  0.175390  0.881203  0.270166  1
  H  H146  1  0.880476  0.716504  0.274040  1
  H  H147  1  0.810400  0.884422  0.282943  1
  H  H148  1  0.191086  0.382225  0.273007  1
  H  H149  1  0.170830  0.552572  0.286217  1
  H  H150  1  0.151064  0.722612  0.299700  1
  H  H151  1  0.535071  0.549361  0.273584  1
  H  H152  1  0.516050  0.719640  0.286713  1
  H  H153  1  0.444913  0.887363  0.295972  1
  H  H154  1  0.847755  0.215135  0.272410  1
  H  H155  1  0.826852  0.385441  0.285641  1
  H  H156  1  0.806008  0.555538  0.299195  1
  H  H157  1  1.142049  0.051272  0.284347  1
  H  H158  1  1.118625  0.221310  0.298031  1
  H  H159  1  0.506431  0.048057  0.271712  1
  H  H160  1  0.483491  0.218347  0.285047  1
  H  H161  1  0.462022  0.388408  0.298622  1
  H  H162  1  0.777006  0.054233  0.297340  1
  H  H163  1  0.269111  0.759033  0.277932  1
  H  H164  1  0.922683  0.591973  0.277431  1
  H  H165  1  0.903537  0.762057  0.290832  1
  H  H166  1  0.234878  0.257730  0.276278  1
  H  H167  1  0.213203  0.427841  0.289744  1
  H  H168  1  0.193684  0.598106  0.303098  1
  H  H169  1  0.578439  0.424828  0.276859  1
  H  H170  1  0.557465  0.594988  0.290314  1
  H  H171  1  0.539251  0.765134  0.303647  1
  H  H172  1  0.892536  0.090658  0.275602  1
  H  H173  1  0.869614  0.260738  0.289164  1
  H  H174  1  0.849420  0.430967  0.302526  1
  H  H175  1  0.188637  0.926566  0.287389  1
  H  H176  1  0.163190  0.096775  0.301283  1
  H  H177  1  0.554367  0.923574  0.274480  1
  H  H178  1  0.527123  0.093653  0.288497  1
  H  H179  1  0.505805  0.263863  0.301948  1
  H  H180  1  0.824347  0.929697  0.300228  1
  H  H181  1  0.323238  0.806063  0.300018  1
  H  H182  1  0.978384  0.639108  0.299466  1
  H  H183  1  1.053817  0.799976  0.274299  1
  H  H184  1  0.290222  0.304855  0.298331  1
  H  H185  1  0.363004  0.465786  0.273298  1
  H  H186  1  0.343222  0.636160  0.286479  1
  H  H187  1  0.633944  0.471970  0.298909  1
  H  H188  1  0.707426  0.632950  0.273847  1
  H  H189  1  0.688724  0.803142  0.287025  1
  H  H190  1  0.947435  0.137770  0.297710  1
  H  H191  1  1.019304  0.298676  0.272714  1
  H  H192  1  0.998768  0.469002  0.285930  1
  H  H193  1  0.337479  0.964512  0.271210  1
  H  H194  1  0.312355  0.134809  0.284723  1
  H  H195  1  0.607659  0.970693  0.296867  1
  H  H196  1  0.676667  0.131597  0.272087  1
  H  H197  1  0.655062  0.301890  0.285349  1
  H  H198  1  0.972961  0.967738  0.283855  1
  H  H199  1  0.433960  0.842253  0.278431  1
  H  H200  1  1.095620  0.675571  0.277700  1
  H  H201  1  1.068040  0.845248  0.291392  1
  H  H202  1  0.406586  0.341274  0.276572  1
  H  H203  1  0.385201  0.511407  0.290029  1
  H  H204  1  0.366379  0.681631  0.303395  1
  H  H205  1  0.750430  0.508394  0.277144  1
  H  H206  1  0.730335  0.678540  0.290597  1
  H  H207  1  0.703331  0.848331  0.304286  1
  H  H208  1  1.063449  0.174194  0.275963  1
  H  H209  1  1.041342  0.344286  0.289458  1
  H  H210  1  1.021416  0.514531  0.302812  1
  H  H211  1  0.356954  0.010099  0.288051  1
  H  H212  1  0.334279  0.180319  0.301637  1
  H  H213  1  0.722560  0.007119  0.275144  1
  H  H214  1  0.698135  0.177196  0.288852  1
  H  H215  1  0.677553  0.347411  0.302240  1
  H  H216  1  0.992941  0.013229  0.300837  1
  H  H217  1  1.079633  0.890350  0.308906  1
  H  H218  1  0.785902  0.725596  0.312641  1
  H  H219  1  0.714758  0.893445  0.321781  1
  H  H220  1  1.096998  0.391391  0.311541  1
  H  H221  1  1.076815  0.561593  0.324904  1
  H  H222  1  1.056412  0.731633  0.338401  1
  H  H223  1  0.440984  0.558520  0.312114  1
  H  H224  1  0.421484  0.728648  0.325463  1
  H  H225  1  0.349370  0.896437  0.334733  1
  H  H226  1  0.753560  0.224290  0.310953  1
  H  H227  1  0.732836  0.394471  0.324330  1
  H  H228  1  0.711934  0.564590  0.337815  1
  H  H229  1  1.047367  0.060282  0.323068  1
  H  H230  1  1.024442  0.230373  0.336654  1
  H  H231  1  0.411738  0.057203  0.310273  1
  H  H232  1  0.389355  0.227369  0.323745  1
  H  H233  1  0.367967  0.397476  0.337238  1
  H  H234  1  0.682251  0.063291  0.335983  1
  H  H235  1  0.173774  0.768105  0.316636  1
  H  H236  1  0.828736  0.601086  0.316054  1
  H  H237  1  0.808615  0.771077  0.329578  1
  H  H238  1  1.140853  0.266854  0.314899  1
  H  H239  1  1.119786  0.436946  0.328401  1
  H  H240  1  1.099546  0.607114  0.341820  1
  H  H241  1  0.484495  0.433961  0.315477  1
  H  H242  1  0.463978  0.604058  0.328982  1
  H  H243  1  0.443703  0.774111  0.342446  1
  H  H244  1  0.798119  0.099765  0.314234  1
  H  H245  1  0.776116  0.269839  0.327824  1
  H  H246  1  0.755426  0.440011  0.341235  1
  H  H247  1  1.093783  0.935663  0.326169  1
  H  H248  1  1.068698  0.105811  0.340003  1
  H  H249  1  0.458933  0.932676  0.313212  1
  H  H250  1  0.433232  0.102745  0.327165  1
  H  H251  1  0.411729  0.272905  0.340658  1
  H  H252  1  0.728890  0.938743  0.339048  1
  H  H253  1  0.227410  0.815071  0.338785  1
  H  H254  1  0.884143  0.648132  0.338109  1
  H  H255  1  0.957658  0.809046  0.312976  1
  H  H256  1  0.196135  0.313922  0.336950  1
  H  H257  1  0.268921  0.474953  0.311828  1
  H  H258  1  0.249074  0.645130  0.325195  1
  H  H259  1  0.539890  0.481033  0.337525  1
  H  H260  1  0.613308  0.642069  0.312397  1
  H  H261  1  0.592792  0.812071  0.325849  1
  H  H262  1  0.853044  0.146830  0.336340  1
  H  H263  1  0.925189  0.307838  0.311252  1
  H  H264  1  0.904757  0.478030  0.324617  1
  H  H265  1  0.242222  -0.026347  0.309809  1
  H  H266  1  0.218029  0.143824  0.323429  1
  H  H267  1  0.512388  -0.020245  0.335542  1
  H  H268  1  0.582296  0.140747  0.310636  1
  H  H269  1  0.561015  0.310917  0.324041  1
  H  H270  1  0.877696  -0.023255  0.322614  1
  H  H271  1  0.337944  0.851289  0.317254  1
  H  H272  1  1.001308  0.684625  0.316353  1
  H  H273  1  0.972659  0.854321  0.330197  1
  H  H274  1  0.312620  0.350404  0.315192  1
  H  H275  1  0.291779  0.520507  0.328687  1
  H  H276  1  0.271863  0.690645  0.342128  1
  H  H277  1  0.656490  0.517524  0.315763  1
  H  H278  1  0.636436  0.687602  0.329281  1
  H  H279  1  0.607538  0.857379  0.343095  1
  H  H280  1  0.969285  0.183309  0.314588  1
  H  H281  1  0.947903  0.353390  0.328116  1
  H  H282  1  0.927411  0.523569  0.341522  1
  H  H283  1  0.262692  0.019195  0.326741  1
  H  H284  1  0.240058  0.189356  0.340350  1
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  H  H673  1  0.920495  0.488405  0.547312  1
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  H  H695  1  0.361825  0.362200  0.543302  1
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  H  H741  1  1.145330  0.833157  0.601477  1
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  H  H743  1  0.465105  0.499208  0.599857  1
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  H  H748  1  1.136585  0.163480  0.584666  1
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  H  H750  1  1.097021  0.501689  0.612004  1
  H  H751  1  0.426459  -0.002776  0.598444  1
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  H  H755  1  0.753381  0.334611  0.611403  1
  H  H756  1  1.058842  0.000193  0.610606  1
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  H  H788  1  0.581359  0.251049  0.611107  1
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  H  H790  1  0.949405  0.248562  0.598959  1
  H  H791  1  0.925272  0.418156  0.611703  1
  H  H792  1  0.236060  0.083833  0.610634  1
