# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18809430
_cell_length_b   15.49968223
_cell_length_c   48.21724356
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.92439718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   6115.37337548
_cell_formula_units_Z   144
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  0.886281  0.314348  0.300535  1
  H  H2  1  0.386281  0.814348  0.300535  1
  H  H3  1  0.348229  0.306091  0.327027  1
  H  H4  1  0.848229  0.806091  0.327027  1
  H  H5  1  0.989648  0.451507  0.285939  1
  H  H6  1  0.489648  -0.048493  0.285939  1
  H  H7  1  0.433203  0.435693  0.307304  1
  H  H8  1  0.933203  0.935693  0.307304  1
  H  H9  1  0.859492  0.565721  0.312917  1
  H  H10  1  0.359492  0.065721  0.312917  1
  H  H11  1  0.406150  0.577746  0.289761  1
  H  H12  1  0.906150  0.077746  0.289761  1
  H  H13  1  0.866328  0.702742  0.292390  1
  H  H14  1  0.366328  0.202742  0.292390  1
  H  H15  1  0.298784  0.685369  0.320148  1
  H  H16  1  0.798784  0.185369  0.320148  1
  H  H17  1  0.612692  0.312115  0.313518  1
  H  H18  1  1.112692  0.812115  0.313518  1
  H  H19  1  1.174984  0.327623  0.289888  1
  H  H20  1  0.674984  0.827623  0.289888  1
  H  H21  1  0.708142  0.446564  0.296602  1
  H  H22  1  0.208142  0.946564  0.296602  1
  H  H23  1  1.174684  0.435409  0.322534  1
  H  H24  1  0.674684  0.935409  0.322534  1
  H  H25  1  0.594144  0.556666  0.325788  1
  H  H26  1  1.094144  0.056666  0.325788  1
  H  H27  1  1.132652  0.570385  0.302081  1
  H  H28  1  0.632652  0.070385  0.302081  1
  H  H29  1  0.576670  0.690549  0.304522  1
  H  H30  1  1.076670  0.190549  0.304522  1
  H  H31  1  1.158416  0.705997  0.280454  1
  H  H32  1  0.658416  0.205997  0.280454  1
  H  H33  1  0.811969  0.297969  0.349362  1
  H  H34  1  0.311969  0.797969  0.349362  1
  H  H35  1  0.279260  0.285178  0.373123  1
  H  H36  1  0.779260  0.785178  0.373123  1
  H  H37  1  0.906680  0.429245  0.332592  1
  H  H38  1  0.406680  0.929245  0.332592  1
  H  H39  1  0.376517  0.418164  0.356637  1
  H  H40  1  0.876517  0.918164  0.356637  1
  H  H41  1  0.794054  0.540986  0.360679  1
  H  H42  1  0.294054  0.040986  0.360679  1
  H  H43  1  0.329041  0.550557  0.337729  1
  H  H44  1  0.829041  0.050557  0.337729  1
  H  H45  1  0.753409  0.674978  0.341959  1
  H  H46  1  0.253409  0.174978  0.341959  1
  H  H47  1  0.217008  0.663588  0.366136  1
  H  H48  1  0.717008  0.163588  0.366136  1
  H  H49  1  0.547104  0.290870  0.361487  1
  H  H50  1  1.047104  0.790870  0.361487  1
  H  H51  1  1.077783  0.301356  0.337120  1
  H  H52  1  0.577783  0.801356  0.337120  1
  H  H53  1  0.639991  0.423581  0.344336  1
  H  H54  1  1.139991  0.923581  0.344336  1
  H  H55  1  1.108008  0.412163  0.368285  1
  H  H56  1  0.608008  0.912163  0.368285  1
  H  H57  1  0.527726  0.535521  0.372834  1
  H  H58  1  1.027726  0.035521  0.372834  1
  H  H59  1  1.059795  0.546448  0.349238  1
  H  H60  1  0.559795  0.046448  0.349238  1
  H  H61  1  0.486628  0.669258  0.354096  1
  H  H62  1  0.986628  0.169258  0.354096  1
  H  H63  1  1.025159  0.680075  0.330828  1
  H  H64  1  0.525159  0.180075  0.330828  1
  H  H65  1  0.748999  0.274246  0.396553  1
  H  H66  1  0.248999  0.774246  0.396553  1
  H  H67  1  0.218688  0.262519  0.420167  1
  H  H68  1  0.718688  0.762519  0.420167  1
  H  H69  1  0.841056  0.407777  0.379822  1
  H  H70  1  0.341056  0.907777  0.379822  1
  H  H71  1  0.304757  0.396010  0.403502  1
  H  H72  1  0.804757  0.896010  0.403502  1
  H  H73  1  0.726019  0.519457  0.407734  1
  H  H74  1  0.226019  0.019457  0.407734  1
  H  H75  1  0.260100  0.529906  0.384389  1
  H  H76  1  0.760100  0.029906  0.384389  1
  H  H77  1  0.681862  0.652783  0.389438  1
  H  H78  1  0.181862  0.152783  0.389438  1
  H  H79  1  1.150060  0.641867  0.413191  1
  H  H80  1  0.650060  0.141867  0.413191  1
  H  H81  1  0.483827  0.268188  0.408326  1
  H  H82  1  0.983827  0.768188  0.408326  1
  H  H83  1  1.013607  0.279839  0.384613  1
  H  H84  1  0.513607  0.779839  0.384613  1
  H  H85  1  0.573727  0.401748  0.391694  1
  H  H86  1  1.073727  0.901748  0.391694  1
  H  H87  1  1.034683  0.390335  0.415243  1
  H  H88  1  0.534683  0.890335  0.415243  1
  H  H89  1  0.457591  0.513796  0.419461  1
  H  H90  1  0.957591  0.013796  0.419461  1
  H  H91  1  0.993261  0.524859  0.396028  1
  H  H92  1  0.493261  0.024859  0.396028  1
  H  H93  1  0.415570  0.647470  0.401351  1
  H  H94  1  0.915570  0.147470  0.401351  1
  H  H95  1  0.948302  0.658341  0.377619  1
  H  H96  1  0.448302  0.158341  0.377619  1
  H  H97  1  0.689184  0.251305  0.444220  1
  H  H98  1  0.189184  0.751305  0.444220  1
  H  H99  1  1.158069  0.238428  0.468437  1
  H  H100  1  0.658069  0.738428  0.468437  1
  H  H101  1  0.763524  0.384707  0.426978  1
  H  H102  1  0.263524  0.884707  0.426978  1
  H  H103  1  0.213387  0.372261  0.450859  1
  H  H104  1  0.713387  0.872261  0.450859  1
  H  H105  1  0.645924  0.495150  0.454502  1
  H  H106  1  1.145924  -0.004850  0.454502  1
  H  H107  1  0.188314  0.507788  0.431153  1
  H  H108  1  0.688314  0.007788  0.431153  1
  H  H109  1  0.621035  0.630604  0.436791  1
  H  H110  1  1.121035  0.130604  0.436791  1
  H  H111  1  1.091235  0.617994  0.460641  1
  H  H112  1  0.591235  0.117994  0.460641  1
  H  H113  1  0.423710  0.245099  0.456277  1
  H  H114  1  0.923710  0.745099  0.456277  1
  H  H115  1  0.954085  0.257054  0.432158  1
  H  H116  1  0.454085  0.757054  0.432158  1
  H  H117  1  0.489968  0.378562  0.438804  1
  H  H118  1  0.989968  0.878562  0.438804  1
  H  H119  1  0.934915  0.366033  0.463096  1
  H  H120  1  0.434915  0.866033  0.463096  1
  H  H121  1  0.371986  0.488320  0.466261  1
  H  H122  1  0.871986  -0.011680  0.466261  1
  H  H123  1  0.917916  0.501583  0.442829  1
  H  H124  1  0.417916  0.001583  0.442829  1
  H  H125  1  0.356255  0.624464  0.448711  1
  H  H126  1  0.856255  0.124464  0.448711  1
  H  H127  1  0.885470  0.636231  0.424950  1
  H  H128  1  0.385470  0.136231  0.424950  1
  H  H129  1  0.626410  0.224506  0.492733  1
  H  H130  1  1.126410  0.724506  0.492733  1
  H  H131  1  1.095029  0.210461  0.516752  1
  H  H132  1  0.595029  0.710461  0.516752  1
  H  H133  1  0.656932  0.359617  0.475184  1
  H  H134  1  1.156932  0.859617  0.475184  1
  H  H135  1  1.102388  0.346568  0.499168  1
  H  H136  1  0.602388  0.846568  0.499168  1
  H  H137  1  0.541430  0.468574  0.502159  1
  H  H138  1  1.041430  -0.031426  0.502159  1
  H  H139  1  1.095903  0.481554  0.478153  1
  H  H140  1  0.595903  -0.018446  0.478153  1
  H  H141  1  0.560506  0.604188  0.484561  1
  H  H142  1  1.060506  0.104188  0.484561  1
  H  H143  1  1.028794  0.590186  0.508711  1
  H  H144  1  0.528794  0.090186  0.508711  1
  H  H145  1  0.360563  0.217461  0.504765  1
  H  H146  1  0.860563  0.717461  0.504765  1
  H  H147  1  0.892274  0.231464  0.480615  1
  H  H148  1  0.392274  0.731464  0.480615  1
  H  H149  1  0.379638  0.353075  0.487167  1
  H  H150  1  0.879638  0.853075  0.487167  1
  H  H151  1  0.825166  0.340095  0.511173  1
  H  H152  1  0.325166  0.840095  0.511173  1
  H  H153  1  0.264137  0.462032  0.514142  1
  H  H154  1  0.764137  -0.037968  0.514142  1
  H  H155  1  0.818680  0.475081  0.490158  1
  H  H156  1  0.318680  -0.024919  0.490158  1
  H  H157  1  0.294658  0.597143  0.496593  1
  H  H158  1  0.794658  0.097143  0.496593  1
  H  H159  1  0.826039  0.611188  0.472574  1
  H  H160  1  0.326039  0.111188  0.472574  1
  H  H161  1  0.564814  0.197185  0.540614  1
  H  H162  1  1.064814  0.697185  0.540614  1
  H  H163  1  1.035598  0.185418  0.564375  1
  H  H164  1  0.535598  0.685418  0.564375  1
  H  H165  1  0.549082  0.333329  0.523065  1
  H  H166  1  1.049082  0.833329  0.523065  1
  H  H167  1  1.003153  0.320066  0.546496  1
  H  H168  1  0.503153  0.820066  0.546496  1
  H  H169  1  0.431100  0.443087  0.550522  1
  H  H170  1  0.931100  0.943087  0.550522  1
  H  H171  1  0.986154  0.455616  0.526230  1
  H  H172  1  0.486154  -0.044384  0.526230  1
  H  H173  1  0.497359  0.576550  0.533049  1
  H  H174  1  0.997359  0.076550  0.533049  1
  H  H175  1  0.966983  0.564595  0.557168  1
  H  H176  1  0.466983  0.064595  0.557168  1
  H  H177  1  0.300034  0.191045  0.552535  1
  H  H178  1  0.800034  0.691045  0.552535  1
  H  H179  1  0.829833  0.203656  0.528685  1
  H  H180  1  0.329833  0.703656  0.528685  1
  H  H181  1  0.275145  0.326499  0.534824  1
  H  H182  1  0.775145  0.826499  0.534824  1
  H  H183  1  0.732754  0.313861  0.558173  1
  H  H184  1  0.232754  0.813861  0.558173  1
  H  H185  1  1.157544  0.436942  0.562348  1
  H  H186  1  0.657544  0.936942  0.562348  1
  H  H187  1  0.707681  0.449388  0.538467  1
  H  H188  1  0.207681  -0.050612  0.538467  1
  H  H189  1  0.231885  0.570344  0.545105  1
  H  H190  1  0.731885  0.070344  0.545105  1
  H  H191  1  0.762999  0.583221  0.520889  1
  H  H192  1  0.262999  0.083221  0.520889  1
  H  H193  1  0.505498  0.174179  0.587975  1
  H  H194  1  1.005498  0.674179  0.587975  1
  H  H195  1  0.972766  0.163308  0.611707  1
  H  H196  1  0.472766  0.663308  0.611707  1
  H  H197  1  0.463477  0.307853  0.569865  1
  H  H198  1  0.963477  0.807853  0.569865  1
  H  H199  1  0.927807  0.296790  0.593298  1
  H  H200  1  0.427807  0.796790  0.593298  1
  H  H201  1  0.347342  0.419901  0.597632  1
  H  H202  1  0.847342  0.919901  0.597632  1
  H  H203  1  0.886385  0.431314  0.574082  1
  H  H204  1  0.386385  0.931314  0.574082  1
  H  H205  1  0.437241  0.553461  0.581000  1
  H  H206  1  0.937241  0.053461  0.581000  1
  H  H207  1  0.907461  0.541810  0.604713  1
  H  H208  1  0.407461  0.041810  0.604713  1
  H  H209  1  0.239206  0.168866  0.599888  1
  H  H210  1  0.739206  0.668866  0.599888  1
  H  H211  1  0.771008  0.179782  0.576135  1
  H  H212  1  0.271008  0.679782  0.576135  1
  H  H213  1  0.195050  0.302192  0.581592  1
  H  H214  1  0.695050  0.802192  0.581592  1
  H  H215  1  0.660968  0.291743  0.604937  1
  H  H216  1  1.160968  0.791743  0.604937  1
  H  H217  1  1.080012  0.413872  0.609504  1
  H  H218  1  0.580012  0.913872  0.609504  1
  H  H219  1  0.616312  0.425639  0.585823  1
  H  H220  1  1.116312  0.925639  0.585823  1
  H  H221  1  1.172069  0.547403  0.592773  1
  H  H222  1  0.672069  0.047403  0.592773  1
  H  H223  1  0.702380  0.559130  0.569159  1
  H  H224  1  0.202380  0.059130  0.569159  1
  H  H225  1  0.434440  0.152391  0.635230  1
  H  H226  1  0.934440  0.652391  0.635230  1
  H  H227  1  0.895909  0.141574  0.658498  1
  H  H228  1  0.395909  0.641574  0.658498  1
  H  H229  1  0.393342  0.286128  0.616492  1
  H  H230  1  0.893342  0.786128  0.616492  1
  H  H231  1  0.861273  0.275201  0.640088  1
  H  H232  1  0.361273  0.775201  0.640088  1
  H  H233  1  0.281077  0.398068  0.644990  1
  H  H234  1  0.781077  0.898068  0.644990  1
  H  H235  1  0.813061  0.409486  0.621041  1
  H  H236  1  0.313061  0.909486  0.621041  1
  H  H237  1  0.373965  0.530779  0.627838  1
  H  H238  1  0.873965  0.030779  0.627838  1
  H  H239  1  0.843285  0.520293  0.652206  1
  H  H240  1  0.343285  0.020293  0.652206  1
  H  H241  1  1.167659  0.146671  0.647367  1
  H  H242  1  0.667659  0.646671  0.647367  1
  H  H243  1  0.704060  0.158062  0.623189  1
  H  H244  1  0.204060  0.658062  0.623189  1
  H  H245  1  1.127015  0.280663  0.628647  1
  H  H246  1  0.627015  0.780663  0.628647  1
  H  H247  1  0.592028  0.271092  0.651597  1
  H  H248  1  1.092028  0.771092  0.651597  1
  H  H249  1  1.014388  0.392404  0.656733  1
  H  H250  1  0.514388  0.892404  0.656733  1
  H  H251  1  0.544551  0.403485  0.632689  1
  H  H252  1  1.044551  0.903485  0.632689  1
  H  H253  1  1.109100  0.523681  0.639964  1
  H  H254  1  0.609100  0.023681  0.639964  1
  H  H255  1  0.641808  0.536471  0.616203  1
  H  H256  1  1.141808  0.036471  0.616203  1
  H  H257  1  0.344398  0.131100  0.684804  1
  H  H258  1  0.844398  0.631100  0.684804  1
  H  H259  1  0.762653  0.115652  0.708872  1
  H  H260  1  0.262653  0.615652  0.708872  1
  H  H261  1  0.326925  0.264984  0.663538  1
  H  H262  1  0.826925  0.764984  0.663538  1
  H  H263  1  0.788416  0.251264  0.687245  1
  H  H264  1  0.288416  0.751264  0.687245  1
  H  H265  1  0.212926  0.375085  0.692724  1
  H  H266  1  0.712926  0.875085  0.692724  1
  H  H267  1  0.746385  0.386240  0.666791  1
  H  H268  1  0.246385  0.886240  0.666791  1
  H  H269  1  0.308377  0.509534  0.675808  1
  H  H270  1  0.808377  0.009534  0.675808  1
  H  H271  1  0.746084  0.494027  0.699437  1
  H  H272  1  0.246084  -0.005973  0.699437  1
  H  H273  1  1.054740  0.118907  0.696935  1
  H  H274  1  0.554740  0.618907  0.696935  1
  H  H275  1  0.622285  0.136280  0.669178  1
  H  H276  1  1.122285  0.636280  0.669178  1
  H  H277  1  1.061576  0.255928  0.676409  1
  H  H278  1  0.561576  0.755928  0.676409  1
  H  H279  1  0.514919  0.243903  0.699565  1
  H  H280  1  1.014919  0.743903  0.699565  1
  H  H281  1  0.931421  0.370142  0.703387  1
  H  H282  1  0.431421  0.870142  0.703387  1
  H  H283  1  0.487865  0.385956  0.682021  1
  H  H284  1  0.987865  0.885956  0.682021  1
  H  H285  1  1.034787  0.507301  0.688791  1
  H  H286  1  0.534787  0.007301  0.688791  1
  H  H287  1  0.572839  0.515558  0.662299  1
  H  H288  1  1.072839  0.015558  0.662299  1
