# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.57687123
_cell_length_b   23.75496104
_cell_length_c   47.70171659
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.57973513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H720
_cell_volume   15357.2611497
_cell_formula_units_Z   360
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  0.627254  0.861984  0.304590  1
  H  H2  1  0.123460  0.851920  0.301698  1
  H  H3  1  0.292475  0.785010  0.293769  1
  H  H4  1  0.459011  0.534509  0.300055  1
  H  H5  1  0.418973  0.853291  0.308693  1
  H  H6  1  0.647407  0.444150  0.297081  1
  H  H7  1  0.820530  0.774499  0.298861  1
  H  H8  1  0.981460  0.515989  0.306982  1
  H  H9  1  0.930493  0.846552  0.309660  1
  H  H10  1  0.120977  0.463091  0.290347  1
  H  H11  1  0.287256  0.202685  0.299906  1
  H  H12  1  0.231585  0.529688  0.304016  1
  H  H13  1  0.472639  0.113316  0.296845  1
  H  H14  1  0.591503  0.181928  0.310141  1
  H  H15  1  0.813032  0.186371  0.306833  1
  H  H16  1  0.765320  0.512858  0.310355  1
  H  H17  1  0.951087  0.124835  0.290146  1
  H  H18  1  0.061799  0.197487  0.303597  1
  H  H19  1  0.656223  0.770127  0.318197  1
  H  H20  1  0.155546  0.758994  0.319988  1
  H  H21  1  0.178392  0.720008  0.277276  1
  H  H22  1  0.481204  0.441097  0.315032  1
  H  H23  1  0.431111  0.761396  0.320551  1
  H  H24  1  0.538469  0.374047  0.283278  1
  H  H25  1  0.712464  0.705972  0.284759  1
  H  H26  1  1.011221  0.424327  0.323555  1
  H  H27  1  0.959774  0.750251  0.325405  1
  H  H28  1  1.001506  0.399168  0.278517  1
  H  H29  1  0.307005  0.109248  0.315112  1
  H  H30  1  0.253436  0.434054  0.318342  1
  H  H31  1  0.362186  0.043527  0.283199  1
  H  H32  1  0.607593  0.087949  0.324949  1
  H  H33  1  0.839098  0.092756  0.321792  1
  H  H34  1  0.782599  0.418293  0.324841  1
  H  H35  1  0.853608  0.044470  0.279590  1
  H  H36  1  0.084861  0.101362  0.318254  1
  H  H37  1  0.548155  0.699396  0.300946  1
  H  H38  1  0.059267  0.677763  0.304596  1
  H  H39  1  0.207823  0.624377  0.290395  1
  H  H40  1  0.372740  0.368994  0.299885  1
  H  H41  1  0.321839  0.691197  0.303318  1
  H  H42  1  0.561328  0.278592  0.296908  1
  H  H43  1  0.734570  0.609867  0.297437  1
  H  H44  1  0.897105  0.352016  0.306997  1
  H  H45  1  0.854418  0.678071  0.310898  1
  H  H46  1  0.034773  0.296193  0.290008  1
  H  H47  1  0.198705  0.033482  0.300124  1
  H  H48  1  0.145721  0.365093  0.303731  1
  H  H49  1  0.382195  0.948847  0.297121  1
  H  H50  1  0.502677  0.016988  0.309824  1
  H  H51  1  0.723015  0.022964  0.306732  1
  H  H52  1  0.678244  0.347359  0.310234  1
  H  H53  1  0.881319  0.945949  0.295356  1
  H  H54  1  0.994142  0.023542  0.304431  1
  H  H55  1  0.517502  0.924379  0.325423  1
  H  H56  1  0.023166  0.926217  0.321421  1
  H  H57  1  0.215860  0.939085  0.316051  1
  H  H58  1  0.339197  0.598550  0.318791  1
  H  H59  1  0.276177  0.879444  0.283126  1
  H  H60  1  0.567606  0.606352  0.315332  1
  H  H61  1  0.740917  0.931191  0.321137  1
  H  H62  1  0.870492  0.583628  0.324977  1
  H  H63  1  0.782604  0.868607  0.285147  1
  H  H64  1  0.096605  0.588922  0.323837  1
  H  H65  1  0.167623  0.268460  0.317985  1
  H  H66  1  0.083003  0.565359  0.278814  1
  H  H67  1  0.395147  0.275501  0.314899  1
  H  H68  1  0.452276  0.208683  0.283119  1
  H  H69  1  0.696791  0.252537  0.324602  1
  H  H70  1  0.625364  0.539701  0.283568  1
  H  H71  1  0.924974  0.258522  0.322409  1
  H  H72  1  0.922308  0.226374  0.277250  1
  H  H73  1  0.536572  0.827253  0.340596  1
  H  H74  1  0.048549  0.824011  0.341836  1
  H  H75  1  0.259826  0.838887  0.331490  1
  H  H76  1  0.356772  0.501896  0.333776  1
  H  H77  1  0.388228  0.812237  0.359846  1
  H  H78  1  0.593231  0.510194  0.329792  1
  H  H79  1  0.769220  0.838113  0.333126  1
  H  H80  1  0.885684  0.485642  0.341428  1
  H  H81  1  0.898424  0.810952  0.360578  1
  H  H82  1  0.121257  0.494541  0.336425  1
  H  H83  1  0.185139  0.170995  0.333752  1
  H  H84  1  0.250816  0.468626  0.364934  1
  H  H85  1  0.421004  0.179161  0.329630  1
  H  H86  1  0.550048  0.152762  0.357380  1
  H  H87  1  0.714058  0.154702  0.340632  1
  H  H88  1  0.722270  0.483196  0.357484  1
  H  H89  1  0.950419  0.163232  0.335583  1
  H  H90  1  0.078840  0.137320  0.364637  1
  H  H91  1  0.554639  0.732485  0.350355  1
  H  H92  1  0.079861  0.720846  0.355862  1
  H  H93  1  0.296702  0.737111  0.345927  1
  H  H94  1  0.378753  0.405269  0.347562  1
  H  H95  1  0.422233  0.712248  0.376225  1
  H  H96  1  0.615278  0.413415  0.343006  1
  H  H97  1  0.794034  0.742207  0.344797  1
  H  H98  1  0.906835  0.389394  0.354770  1
  H  H99  1  0.920337  0.717188  0.373765  1
  H  H100  1  0.144730  0.399047  0.350371  1
  H  H101  1  0.207718  0.073684  0.348120  1
  H  H102  1  0.272751  0.372835  0.379136  1
  H  H103  1  0.442038  0.082352  0.342999  1
  H  H104  1  0.570624  0.057946  0.371919  1
  H  H105  1  0.735167  0.058863  0.354126  1
  H  H106  1  0.743530  0.387960  0.371683  1
  H  H107  1  0.973588  0.067617  0.349373  1
  H  H108  1  0.100708  0.042465  0.379775  1
  H  H109  1  0.442552  0.666859  0.334293  1
  H  H110  1  0.973989  0.651455  0.342161  1
  H  H111  1  0.202520  0.662195  0.334977  1
  H  H112  1  0.270688  0.336570  0.333506  1
  H  H113  1  0.332527  0.635535  0.364432  1
  H  H114  1  0.507187  0.344759  0.329593  1
  H  H115  1  0.682567  0.674689  0.330778  1
  H  H116  1  0.799944  0.320183  0.340942  1
  H  H117  1  0.811621  0.647434  0.358194  1
  H  H118  1  0.035482  0.329228  0.336001  1
  H  H119  1  0.107242  0.002593  0.336734  1
  H  H120  1  0.164691  0.302970  0.364645  1
  H  H121  1  0.332355  0.012741  0.329969  1
  H  H122  1  0.461480  0.987206  0.357830  1
  H  H123  1  0.622742  0.991653  0.341146  1
  H  H124  1  0.636506  0.317755  0.357236  1
  H  H125  1  0.865321  -0.000701  0.334811  1
  H  H126  1  0.992056  0.972013  0.364392  1
  H  H127  1  0.481670  0.890245  0.372436  1
  H  H128  1  1.006917  0.880052  0.378132  1
  H  H129  1  0.141654  0.897983  0.352643  1
  H  H130  1  0.358396  0.538741  0.379386  1
  H  H131  1  0.354564  0.914042  0.343091  1
  H  H132  1  0.464265  0.570565  0.347802  1
  H  H133  1  0.643138  0.895071  0.354352  1
  H  H134  1  0.829810  0.553205  0.372026  1
  H  H135  1  0.883375  0.904813  0.346949  1
  H  H136  1  0.993272  0.554421  0.355071  1
  H  H137  1  0.186473  0.207470  0.379057  1
  H  H138  1  0.230279  0.564880  0.350545  1
  H  H139  1  0.292714  0.239852  0.347440  1
  H  H140  1  0.529266  0.248038  0.342882  1
  H  H141  1  0.657862  0.222487  0.371470  1
  H  H142  1  0.702125  0.578404  0.343202  1
  H  H143  1  0.821632  0.223891  0.354398  1
  H  H144  1  0.058303  0.233599  0.349920  1
  H  H145  1  0.519244  0.787459  0.388217  1
  H  H146  1  0.028200  0.785697  0.389079  1
  H  H147  1  0.180077  0.796252  0.367579  1
  H  H148  1  0.380645  0.442811  0.393181  1
  H  H149  1  0.306217  0.772594  0.396235  1
  H  H150  1  0.486817  0.475180  0.361471  1
  H  H151  1  0.669580  0.800406  0.366508  1
  H  H152  1  0.851079  0.457139  0.386457  1
  H  H153  1  0.797636  0.775665  0.394246  1
  H  H154  1  0.016214  0.459948  0.369033  1
  H  H155  1  0.208709  0.112119  0.393238  1
  H  H156  1  0.145102  0.434729  0.396805  1
  H  H157  1  0.315057  0.144253  0.361403  1
  H  H158  1  0.443751  0.119063  0.389502  1
  H  H159  1  0.679543  0.126326  0.385986  1
  H  H160  1  0.615728  0.449804  0.389531  1
  H  H161  1  0.844664  0.128833  0.368061  1
  H  H162  1  0.972514  0.103914  0.396375  1
  H  H163  1  0.554336  0.686604  0.403738  1
  H  H164  1  0.050392  0.690711  0.402106  1
  H  H165  1  0.212224  0.697526  0.382841  1
  H  H166  1  0.402533  0.346949  0.407119  1
  H  H167  1  0.339657  0.671513  0.411756  1
  H  H168  1  0.508764  0.380047  0.375440  1
  H  H169  1  0.686358  0.707648  0.377339  1
  H  H170  1  0.872975  0.361319  0.400338  1
  H  H171  1  0.813911  0.682011  0.405536  1
  H  H172  1  0.037575  0.364888  0.382379  1
  H  H173  1  0.231183  0.016328  0.407474  1
  H  H174  1  0.166192  0.339236  0.410835  1
  H  H175  1  0.336921  0.048849  0.375849  1
  H  H176  1  0.465845  0.022965  0.403990  1
  H  H177  1  0.700987  0.030333  0.399928  1
  H  H178  1  0.637516  0.353994  0.403641  1
  H  H179  1  0.865525  0.034214  0.381817  1
  H  H180  1  0.992978  0.008557  0.410709  1
  H  H181  1  0.463109  0.610195  0.392860  1
  H  H182  1  0.940096  0.621648  0.387212  1
  H  H183  1  0.104649  0.625585  0.369450  1
  H  H184  1  0.294511  0.277335  0.393006  1
  H  H185  1  0.232571  0.600396  0.397465  1
  H  H186  1  0.400919  0.309782  0.361274  1
  H  H187  1  0.572451  0.639440  0.361633  1
  H  H188  1  0.765471  0.291629  0.386123  1
  H  H189  1  0.700759  0.614536  0.389671  1
  H  H190  1  0.930222  0.294444  0.368455  1
  H  H191  1  0.122347  0.947436  0.393372  1
  H  H192  1  0.058766  0.269334  0.396507  1
  H  H193  1  0.234973  0.975049  0.363020  1
  H  H194  1  0.361904  0.951431  0.390802  1
  H  H195  1  0.591779  0.960964  0.386217  1
  H  H196  1  0.530063  0.284368  0.389333  1
  H  H197  1  0.756923  0.964457  0.367289  1
  H  H198  1  0.883191  0.939573  0.395999  1
  H  H199  1  0.400991  0.847902  0.408159  1
  H  H200  1  0.902749  0.844200  0.409699  1
  H  H201  1  0.139797  0.853225  0.405153  1
  H  H202  1  0.252808  0.504613  0.411189  1
  H  H203  1  0.273457  0.873872  0.379621  1
  H  H204  1  0.488128  0.512889  0.407347  1
  H  H205  1  0.613505  0.863010  0.400102  1
  H  H206  1  0.722543  0.519404  0.403851  1
  H  H207  1  0.776517  0.870558  0.380858  1
  H  H208  1  0.958984  0.526685  0.400698  1
  H  H209  1  0.080037  0.173850  0.410743  1
  H  H210  1  0.124149  0.530396  0.382760  1
  H  H211  1  0.316422  0.181703  0.407116  1
  H  H212  1  0.422613  0.214756  0.375399  1
  H  H213  1  0.551617  0.188658  0.403591  1
  H  H214  1  0.594011  0.545311  0.375623  1
  H  H215  1  0.787315  0.195771  0.400075  1
  H  H216  1  0.951788  0.199344  0.382102  1
  H  H217  1  0.435325  0.746809  0.424260  1
  H  H218  1  0.926444  0.749783  0.422371  1
  H  H219  1  0.157180  0.759527  0.417277  1
  H  H220  1  0.274152  0.409056  0.425136  1
  H  H221  1  0.286262  0.734057  0.445778  1
  H  H222  1  0.510073  0.416758  0.421442  1
  H  H223  1  0.649890  0.761246  0.416055  1
  H  H224  1  0.744386  0.423765  0.418074  1
  H  H225  1  0.779227  0.735428  0.444369  1
  H  H226  1  0.980717  0.431127  0.414653  1
  H  H227  1  0.101616  0.078529  0.425146  1
  H  H228  1  0.110085  0.405604  0.442946  1
  H  H229  1  0.338252  0.086031  0.421509  1
  H  H230  1  0.467506  0.060022  0.449811  1
  H  H231  1  0.573024  0.092959  0.417974  1
  H  H232  1  0.639095  0.390802  0.449804  1
  H  H233  1  0.808965  0.100263  0.414215  1
  H  H234  1  0.938106  0.074891  0.442747  1
  H  H235  1  0.469626  0.646114  0.439806  1
  H  H236  1  0.942394  0.656459  0.433930  1
  H  H237  1  0.179673  0.665197  0.430305  1
  H  H238  1  0.295591  0.313452  0.439163  1
  H  H239  1  0.308842  0.639439  0.458706  1
  H  H240  1  0.531678  0.320953  0.435495  1
  H  H241  1  0.683438  0.660475  0.432257  1
  H  H242  1  0.766379  0.328130  0.432169  1
  H  H243  1  0.812461  0.634680  0.460755  1
  H  H244  1  1.002588  0.335691  0.428623  1
  H  H245  1  0.122919  0.983033  0.439146  1
  H  H246  1  0.131782  0.310049  0.457056  1
  H  H247  1  0.360466  0.990313  0.435825  1
  H  H248  1  0.489885  0.964389  0.464073  1
  H  H249  1  0.595179  -0.003065  0.432216  1
  H  H250  1  0.660764  0.295069  0.463911  1
  H  H251  1  0.830050  0.005006  0.428460  1
  H  H252  1  0.959293  0.979217  0.456897  1
  H  H253  1  0.361452  0.574753  0.425714  1
  H  H254  1  0.828914  0.588799  0.418222  1
  H  H255  1  0.069348  0.595841  0.415400  1
  H  H256  1  0.187832  0.243738  0.424980  1
  H  H257  1  0.198579  0.570325  0.443703  1
  H  H258  1  0.424095  0.251301  0.421312  1
  H  H259  1  0.592876  0.584104  0.421098  1
  H  H260  1  0.658870  0.258266  0.417855  1
  H  H261  1  0.721879  0.558093  0.449555  1
  H  H262  1  0.895053  0.265646  0.414365  1
  H  H263  1  1.012998  0.913637  0.424505  1
  H  H264  1  0.024292  0.240223  0.442806  1
  H  H265  1  0.252693  0.920875  0.421508  1
  H  H266  1  0.382335  0.895102  0.449956  1
  H  H267  1  0.490538  0.925341  0.418872  1
  H  H268  1  0.553199  0.225320  0.449680  1
  H  H269  1  0.721815  0.934486  0.414010  1
  H  H270  1  0.851083  0.909006  0.442480  1
  H  H271  1  0.398354  0.801723  0.462361  1
  H  H272  1  0.872510  0.811509  0.456618  1
  H  H273  1  0.033037  0.818711  0.437589  1
  H  H274  1  0.217835  0.475300  0.457229  1
  H  H275  1  0.268242  0.827575  0.434135  1
  H  H276  1  0.382161  0.478892  0.439423  1
  H  H277  1  0.530965  0.822222  0.436130  1
  H  H278  1  0.746191  0.461068  0.464116  1
  H  H279  1  0.743052  0.837436  0.428295  1
  H  H280  1  0.851292  0.493663  0.432386  1
  H  H281  1  0.045768  0.144781  0.457039  1
  H  H282  1  0.088630  0.500988  0.428873  1
  H  H283  1  0.209512  0.148201  0.439199  1
  H  H284  1  0.445701  0.155677  0.435514  1
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  H  H577  1  0.192182  0.554656  0.641363  1
  H  H578  1  0.683851  0.558730  0.641347  1
  H  H579  1  0.832506  0.569054  0.620143  1
  H  H580  1  1.014829  0.226375  0.641098  1
  H  H581  1  0.958194  0.543574  0.649557  1
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  H  H586  1  0.650020  0.242775  0.616288  1
  H  H587  1  0.843706  0.895975  0.640682  1
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  H  H589  1  1.007110  0.897062  0.623648  1
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  H  H593  1  0.477776  0.911987  0.616168  1
  H  H594  1  0.605805  0.885797  0.645014  1
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  H  H621  1  0.395823  0.368600  0.652519  1
  H  H622  1  0.563887  0.077518  0.616379  1
  H  H623  1  0.755936  0.730191  0.640279  1
  H  H624  1  0.691861  0.051295  0.645241  1
  H  H625  1  0.917850  0.732614  0.622879  1
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  H  H627  1  0.286031  0.715734  0.647249  1
  H  H628  1  0.221222  0.036986  0.652512  1
  H  H629  1  0.395934  0.744595  0.616527  1
  H  H630  1  0.524333  0.719131  0.645811  1
  H  H631  1  0.067370  0.611346  0.663186  1
  H  H632  1  0.562839  0.615702  0.664010  1
  H  H633  1  0.778105  0.632094  0.653215  1
  H  H634  1  0.885415  0.287170  0.659897  1
  H  H635  1  0.937012  0.638509  0.636200  1
  H  H636  1  0.123849  0.294935  0.654671  1
  H  H637  1  0.302096  0.621027  0.657076  1
  H  H638  1  0.416143  0.271447  0.665763  1
  H  H639  1  0.438450  0.642137  0.633838  1
  H  H640  1  0.650747  0.279413  0.661331  1
  H  H641  1  0.715082  0.955784  0.659213  1
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  H  H643  1  0.950965  0.964772  0.654287  1
  H  H644  1  0.114207  0.967188  0.638083  1
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  H  H646  1  0.287305  0.297392  0.637880  1
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  H  H649  1  0.098892  0.517034  0.675396  1
  H  H650  1  0.612975  0.516015  0.677416  1
  H  H651  1  0.804065  0.529040  0.671733  1
  H  H652  1  0.911447  0.192109  0.673262  1
  H  H653  1  0.045692  0.580635  0.709822  1
  H  H654  1  0.140133  0.197722  0.670794  1
  H  H655  1  0.315259  0.525701  0.670948  1
  H  H656  1  0.441527  0.175048  0.680531  1
  H  H657  1  0.561021  0.568559  0.713794  1
  H  H658  1  0.668595  0.182185  0.677488  1
  H  H659  1  0.739601  0.861363  0.671859  1
  H  H660  1  0.912242  0.226740  0.718292  1
  H  H661  1  0.967240  0.867039  0.670717  1
  H  H662  1  0.211896  0.910896  0.712072  1
  H  H663  1  0.269443  0.843853  0.680368  1
  H  H664  1  0.384615  0.241538  0.712363  1
  H  H665  1  0.496604  0.851445  0.676826  1
  H  H666  1  0.750623  0.885783  0.716862  1
  H  H667  1  0.118054  0.425091  0.689087  1
  H  H668  1  0.639733  0.422028  0.694913  1
  H  H669  1  0.833615  0.431161  0.688192  1
  H  H670  1  0.939057  0.098455  0.688529  1
  H  H671  1  0.945721  0.507493  0.697869  1
  H  H672  1  0.158417  0.103052  0.685262  1
  H  H673  1  0.334142  0.432985  0.685763  1
  H  H674  1  0.463699  0.081631  0.695621  1
  H  H675  1  0.453646  0.501453  0.697905  1
  H  H676  1  0.690585  0.085679  0.691806  1
  H  H677  1  0.769701  0.770173  0.688913  1
  H  H678  1  0.801605  0.155209  0.705518  1
  H  H679  1  0.984185  0.772379  0.685082  1
  H  H680  1  0.102768  0.840727  0.698373  1
  H  H681  1  0.291499  0.750210  0.695152  1
  H  H682  1  0.275119  0.171818  0.698613  1
  H  H683  1  0.517471  0.756987  0.691481  1
  H  H684  1  0.628339  0.824505  0.704963  1
  H  H685  1  0.999807  0.356213  0.673291  1
  H  H686  1  0.532272  0.342032  0.680338  1
  H  H687  1  0.746219  0.350447  0.677068  1
  H  H688  1  0.825332  0.025995  0.672126  1
  H  H689  1  0.975604  0.411432  0.712931  1
  H  H690  1  0.053947  0.032210  0.670719  1
  H  H691  1  0.231198  0.361514  0.670300  1
  H  H692  1  0.355307  0.009431  0.680497  1
  H  H693  1  0.475899  0.407369  0.712051  1
  H  H694  1  0.582841  0.016348  0.677236  1
  H  H695  1  0.658729  0.694946  0.673079  1
  H  H696  1  0.834044  0.052082  0.717123  1
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  H  H698  1  0.125697  0.744483  0.711444  1
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  H  H703  1  1.015744  0.675485  0.697238  1
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  H  H712  1  0.549374  0.248253  0.695500  1
  H  H713  1  0.715121  0.987643  0.705197  1
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  H  H719  1  0.377731  0.916069  0.695512  1
  H  H720  1  0.604300  0.920372  0.691552  1
