# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97680746
_cell_length_b   12.38081686
_cell_length_c   45.88115586
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.70187780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H270
_cell_volume   5410.95912354
_cell_formula_units_Z   135
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  0.774043  0.480378  0.296461  1
  H  H2  1  0.107376  0.147044  0.296461  1
  H  H3  1  0.155561  0.490802  0.286980  1
  H  H4  1  0.546411  0.509322  0.277786  1
  H  H5  1  0.879744  0.175988  0.277786  1
  H  H6  1  0.213078  0.842655  0.277786  1
  H  H7  1  0.440709  0.813711  0.296461  1
  H  H8  1  0.488894  0.157469  0.286980  1
  H  H9  1  0.822228  0.824136  0.286980  1
  H  H10  1  0.720229  0.670348  0.281264  1
  H  H11  1  0.053563  0.337015  0.281264  1
  H  H12  1  0.129298  0.679448  0.273480  1
  H  H13  1  0.350710  0.655748  0.292989  1
  H  H14  1  0.684044  0.322415  0.292989  1
  H  H15  1  0.017377  0.989082  0.292989  1
  H  H16  1  0.386896  0.003681  0.281264  1
  H  H17  1  0.462632  0.346114  0.273480  1
  H  H18  1  0.795965  0.012781  0.273480  1
  H  H19  1  0.585996  0.454176  0.327945  1
  H  H20  1  0.919329  0.120843  0.327945  1
  H  H21  1  0.981238  0.463681  0.319023  1
  H  H22  1  0.368213  0.475669  0.308828  1
  H  H23  1  0.701546  0.142336  0.308828  1
  H  H24  1  0.034879  0.809002  0.308828  1
  H  H25  1  0.252663  0.787509  0.327945  1
  H  H26  1  0.314571  0.130347  0.319023  1
  H  H27  1  0.647905  0.797014  0.319023  1
  H  H28  1  0.566141  0.634102  0.314404  1
  H  H29  1  0.899474  0.300769  0.314404  1
  H  H30  1  0.951445  0.641859  0.301999  1
  H  H31  1  0.170954  0.626413  0.323304  1
  H  H32  1  0.504287  0.293080  0.323304  1
  H  H33  1  0.837621  0.959747  0.323304  1
  H  H34  1  0.232808  0.967436  0.314404  1
  H  H35  1  0.284778  0.308525  0.301999  1
  H  H36  1  0.618112  0.975192  0.301999  1
  H  H37  1  0.407944  0.426855  0.358172  1
  H  H38  1  0.741278  0.093522  0.358172  1
  H  H39  1  0.799015  0.436660  0.347887  1
  H  H40  1  0.194974  0.443845  0.338161  1
  H  H41  1  0.528308  0.110512  0.338161  1
  H  H42  1  0.861641  0.777179  0.338161  1
  H  H43  1  0.074611  0.760188  0.358172  1
  H  H44  1  0.132349  0.103327  0.347887  1
  H  H45  1  0.465682  0.769993  0.347887  1
  H  H46  1  0.388719  0.607383  0.343435  1
  H  H47  1  0.722052  0.274050  0.343435  1
  H  H48  1  0.781830  0.615858  0.333180  1
  H  H49  1  0.997405  0.597795  0.353212  1
  H  H50  1  0.330738  0.264462  0.353212  1
  H  H51  1  0.664072  0.931128  0.353212  1
  H  H52  1  0.055385  0.940716  0.343435  1
  H  H53  1  0.115163  0.282525  0.333180  1
  H  H54  1  0.448496  0.949191  0.333180  1
  H  H55  1  0.229073  0.398621  0.387819  1
  H  H56  1  0.562407  0.065288  0.387819  1
  H  H57  1  0.621488  0.408146  0.377729  1
  H  H58  1  0.014688  0.416734  0.368061  1
  H  H59  1  0.348021  0.083400  0.368061  1
  H  H60  1  0.681355  0.750067  0.368061  1
  H  H61  1  0.895740  0.731954  0.387819  1
  H  H62  1  0.954822  0.074813  0.377729  1
  H  H63  1  0.288155  0.741479  0.377729  1
  H  H64  1  0.212217  0.578847  0.373144  1
  H  H65  1  0.545551  0.245514  0.373144  1
  H  H66  1  0.604624  0.588369  0.363464  1
  H  H67  1  0.820154  0.569580  0.383093  1
  H  H68  1  0.153487  0.236246  0.383093  1
  H  H69  1  0.486820  0.902913  0.383093  1
  H  H70  1  0.878884  0.912181  0.373144  1
  H  H71  1  0.937958  0.255036  0.363464  1
  H  H72  1  0.271291  0.921703  0.363464  1
  H  H73  1  0.050629  0.370561  0.417570  1
  H  H74  1  0.383962  0.037227  0.417570  1
  H  H75  1  0.443541  0.379926  0.407649  1
  H  H76  1  0.835731  0.389553  0.397612  1
  H  H77  1  0.169064  0.056219  0.397612  1
  H  H78  1  0.502398  0.722886  0.397612  1
  H  H79  1  0.717296  0.703894  0.417570  1
  H  H80  1  0.776874  0.046592  0.407649  1
  H  H81  1  0.110207  0.713259  0.407649  1
  H  H82  1  0.034600  0.550955  0.403079  1
  H  H83  1  0.367934  0.217622  0.403079  1
  H  H84  1  0.426904  0.560506  0.393216  1
  H  H85  1  0.641848  0.541722  0.413074  1
  H  H86  1  0.975181  0.208389  0.413074  1
  H  H87  1  0.308514  0.875055  0.413074  1
  H  H88  1  0.701267  0.884288  0.403079  1
  H  H89  1  0.760238  0.227173  0.393216  1
  H  H90  1  0.093571  0.893840  0.393216  1
  H  H91  1  0.872477  0.342735  0.447369  1
  H  H92  1  0.205810  0.009401  0.447369  1
  H  H93  1  0.265276  0.351982  0.437452  1
  H  H94  1  0.657874  0.361491  0.427487  1
  H  H95  1  0.991208  0.028158  0.427487  1
  H  H96  1  0.324541  0.694825  0.427487  1
  H  H97  1  0.539144  0.676068  0.447369  1
  H  H98  1  0.598610  0.018649  0.437452  1
  H  H99  1  0.931943  0.685316  0.437452  1
  H  H100  1  0.856551  0.522946  0.432934  1
  H  H101  1  0.189884  0.189613  0.432934  1
  H  H102  1  0.249172  0.532304  0.423017  1
  H  H103  1  0.463768  0.513655  0.442939  1
  H  H104  1  0.797101  0.180322  0.442939  1
  H  H105  1  0.130434  0.846988  0.442939  1
  H  H106  1  0.523217  0.856280  0.432934  1
  H  H107  1  0.582505  0.198970  0.423017  1
  H  H108  1  0.915838  0.865637  0.423017  1
  H  H109  1  0.694465  0.314700  0.477230  1
  H  H110  1  0.027798  0.981367  0.477230  1
  H  H111  1  0.087175  0.323993  0.467282  1
  H  H112  1  0.479871  0.333344  0.457346  1
  H  H113  1  0.813205  1.000011  0.457346  1
  H  H114  1  0.146538  0.666678  0.457346  1
  H  H115  1  0.361132  0.648033  0.477230  1
  H  H116  1  0.420509  0.990660  0.467282  1
  H  H117  1  0.753842  0.657327  0.467282  1
  H  H118  1  0.678431  0.494972  0.462824  1
  H  H119  1  0.011764  0.161638  0.462824  1
  H  H120  1  0.071129  0.504259  0.452862  1
  H  H121  1  0.285728  0.485599  0.472779  1
  H  H122  1  0.619061  0.152266  0.472779  1
  H  H123  1  0.952394  0.818933  0.472779  1
  H  H124  1  0.345097  0.828305  0.462824  1
  H  H125  1  0.404463  0.170926  0.452862  1
  H  H126  1  0.737796  0.837592  0.452862  1
  H  H127  1  0.516406  0.286663  0.507093  1
  H  H128  1  0.849739  0.953330  0.507093  1
  H  H129  1  0.909096  0.296007  0.497123  1
  H  H130  1  0.301803  0.305331  0.487184  1
  H  H131  1  0.635136  0.971997  0.487184  1
  H  H132  1  0.968470  0.638664  0.487184  1
  H  H133  1  0.183072  0.619996  0.507093  1
  H  H134  1  0.242429  0.962674  0.497123  1
  H  H135  1  0.575763  0.629340  0.497123  1
  H  H136  1  0.500368  0.466914  0.492682  1
  H  H137  1  0.833702  0.133581  0.492682  1
  H  H138  1  0.893058  0.476258  0.482712  1
  H  H139  1  0.107661  0.457591  0.502621  1
  H  H140  1  0.440995  0.124257  0.502621  1
  H  H141  1  0.774328  0.790924  0.502621  1
  H  H142  1  0.167035  0.800248  0.492682  1
  H  H143  1  0.226392  0.142925  0.482712  1
  H  H144  1  0.559725  0.809591  0.482712  1
  H  H145  1  0.338335  0.258662  0.536942  1
  H  H146  1  0.671668  0.925329  0.536942  1
  H  H147  1  0.731034  0.267949  0.526981  1
  H  H148  1  0.123737  0.277322  0.517026  1
  H  H149  1  0.457070  0.943988  0.517026  1
  H  H150  1  0.790403  0.610655  0.517026  1
  H  H151  1  0.005002  0.591995  0.536942  1
  H  H152  1  0.064367  0.934616  0.526981  1
  H  H153  1  0.397700  0.601283  0.526981  1
  H  H154  1  0.322289  0.438928  0.522523  1
  H  H155  1  0.655622  0.105595  0.522523  1
  H  H156  1  0.714999  0.448221  0.512575  1
  H  H157  1  0.929593  0.429577  0.532459  1
  H  H158  1  0.262926  0.096243  0.532459  1
  H  H159  1  0.596260  0.762910  0.532459  1
  H  H160  1  0.988955  0.772261  0.522523  1
  H  H161  1  0.048332  0.114888  0.512575  1
  H  H162  1  0.381666  0.781555  0.512575  1
  H  H163  1  0.160293  0.230618  0.566787  1
  H  H164  1  0.493626  0.897284  0.566787  1
  H  H165  1  0.552913  0.239975  0.556870  1
  H  H166  1  0.945697  0.249266  0.546866  1
  H  H167  1  0.279030  0.915933  0.546866  1
  H  H168  1  0.612363  0.582600  0.546866  1
  H  H169  1  0.826959  0.563951  0.566787  1
  H  H170  1  0.886247  0.906641  0.556870  1
  H  H171  1  0.219580  0.573308  0.556870  1
  H  H172  1  0.144188  0.410939  0.552352  1
  H  H173  1  0.477521  0.077605  0.552352  1
  H  H174  1  0.536987  0.420186  0.542436  1
  H  H175  1  0.751590  0.401430  0.562318  1
  H  H176  1  0.084923  0.068097  0.562318  1
  H  H177  1  0.418257  0.734763  0.562318  1
  H  H178  1  0.810854  0.744272  0.552352  1
  H  H179  1  0.870320  0.086853  0.542436  1
  H  H180  1  0.203654  0.753520  0.542436  1
  H  H181  1  0.982560  0.202415  0.596588  1
  H  H182  1  0.315893  0.869082  0.596588  1
  H  H183  1  0.374864  0.211966  0.586726  1
  H  H184  1  0.767617  0.221199  0.576730  1
  H  H185  1  0.100950  0.887866  0.576730  1
  H  H186  1  0.434283  0.554533  0.576730  1
  H  H187  1  0.649227  0.535748  0.596588  1
  H  H188  1  0.708197  0.878633  0.586726  1
  H  H189  1  0.041531  0.545300  0.586726  1
  H  H190  1  0.965923  0.382996  0.582156  1
  H  H191  1  0.299257  0.049662  0.582156  1
  H  H192  1  0.358835  0.392361  0.572235  1
  H  H193  1  0.573733  0.373369  0.592193  1
  H  H194  1  0.907067  0.040035  0.592193  1
  H  H195  1  0.240400  0.706702  0.592193  1
  H  H196  1  0.632590  0.716329  0.582156  1
  H  H197  1  0.692168  0.059027  0.572235  1
  H  H198  1  0.025502  0.725694  0.572235  1
  H  H199  1  0.804840  0.174552  0.626341  1
  H  H200  1  0.138173  0.841218  0.626341  1
  H  H201  1  0.197247  0.184074  0.616661  1
  H  H202  1  0.589310  0.193342  0.606712  1
  H  H203  1  0.922644  0.860008  0.606712  1
  H  H204  1  0.255977  0.526675  0.606712  1
  H  H205  1  0.471507  0.507885  0.626341  1
  H  H206  1  0.530580  0.850740  0.616661  1
  H  H207  1  0.863914  0.517407  0.616661  1
  H  H208  1  0.787976  0.354775  0.612076  1
  H  H209  1  0.121309  0.021442  0.612076  1
  H  H210  1  0.180391  0.364300  0.601986  1
  H  H211  1  0.394776  0.346188  0.621744  1
  H  H212  1  0.728109  0.012854  0.621744  1
  H  H213  1  0.061443  0.679521  0.621744  1
  H  H214  1  0.454643  0.688109  0.612076  1
  H  H215  1  0.513724  0.030967  0.601986  1
  H  H216  1  0.847058  0.697633  0.601986  1
  H  H217  1  0.627635  0.147063  0.656625  1
  H  H218  1  0.960968  0.813730  0.656625  1
  H  H219  1  0.020746  0.155538  0.646370  1
  H  H220  1  0.412059  0.165126  0.636593  1
  H  H221  1  0.745393  0.831793  0.636593  1
  H  H222  1  0.078726  0.498460  0.636593  1
  H  H223  1  0.294301  0.480396  0.656625  1
  H  H224  1  0.354079  0.822205  0.646370  1
  H  H225  1  0.687412  0.488871  0.646370  1
  H  H226  1  0.610449  0.326261  0.641918  1
  H  H227  1  0.943782  0.992928  0.641918  1
  H  H228  1  1.001520  0.336066  0.631633  1
  H  H229  1  0.214490  0.319076  0.651644  1
  H  H230  1  0.547823  0.985742  0.651644  1
  H  H231  1  0.881157  0.652409  0.651644  1
  H  H232  1  0.277116  0.659595  0.641918  1
  H  H233  1  0.334853  0.002733  0.631633  1
  H  H234  1  0.668186  0.669399  0.631633  1
  H  H235  1  0.458019  0.121062  0.687805  1
  H  H236  1  0.791353  0.787729  0.687805  1
  H  H237  1  0.843323  0.128819  0.675400  1
  H  H238  1  0.238510  0.136508  0.666501  1
  H  H239  1  0.571843  0.803174  0.666501  1
  H  H240  1  0.905177  0.469841  0.666501  1
  H  H241  1  0.124686  0.454396  0.687805  1
  H  H242  1  0.176657  0.795486  0.675400  1
  H  H243  1  0.509990  0.462152  0.675400  1
  H  H244  1  0.428226  0.299241  0.670781  1
  H  H245  1  0.761560  0.965907  0.670781  1
  H  H246  1  0.823468  0.308745  0.661860  1
  H  H247  1  0.041252  0.287252  0.680977  1
  H  H248  1  0.374585  0.953919  0.680977  1
  H  H249  1  0.707918  0.620585  0.680977  1
  H  H250  1  0.094893  0.632574  0.670781  1
  H  H251  1  0.156801  0.975412  0.661860  1
  H  H252  1  0.490135  0.642078  0.661860  1
  H  H253  1  0.280166  0.083474  0.716325  1
  H  H254  1  0.613499  0.750140  0.716325  1
  H  H255  1  0.689235  0.092573  0.708541  1
  H  H256  1  0.058754  0.107173  0.696816  1
  H  H257  1  0.392087  0.773840  0.696816  1
  H  H258  1  0.725421  0.440506  0.696816  1
  H  H259  1  0.946833  0.416807  0.716325  1
  H  H260  1  0.022568  0.759240  0.708541  1
  H  H261  1  0.355902  0.425907  0.708541  1
  H  H262  1  0.253903  0.272119  0.702824  1
  H  H263  1  0.587236  0.938786  0.702824  1
  H  H264  1  0.635421  0.282544  0.693343  1
  H  H265  1  0.863053  0.253600  0.712018  1
  H  H266  1  0.196387  0.920266  0.712018  1
  H  H267  1  0.529720  0.586933  0.712018  1
  H  H268  1  0.920570  0.605452  0.702824  1
  H  H269  1  0.968755  0.949210  0.693343  1
  H  H270  1  0.302088  0.615877  0.693343  1
