# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.04153802
_cell_length_b   9.86799637
_cell_length_c   44.37175692
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.33522829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H270
_cell_volume   5890.00062327
_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  0.466180  0.084640  0.351888  1
  H  H2  1  -0.005178  0.033172  0.303121  1
  H  H3  1  0.191717  0.838509  0.317816  1
  H  H4  1  0.353563  0.669028  0.321856  1
  H  H5  1  0.403029  0.883441  0.341804  1
  H  H6  1  0.531539  0.647384  0.327832  1
  H  H7  1  0.695913  0.962339  0.319941  1
  H  H8  1  0.811485  0.700134  0.304064  1
  H  H9  1  0.871529  0.880081  0.322316  1
  H  H10  1  -0.005398  0.608936  0.306004  1
  H  H11  1  0.210636  0.360203  0.330190  1
  H  H12  1  0.182823  0.607892  0.309429  1
  H  H13  1  0.387018  0.325951  0.331241  1
  H  H14  1  0.566961  0.224461  0.332725  1
  H  H15  1  0.700461  0.340346  0.309293  1
  H  H16  1  0.708163  0.563457  0.327978  1
  H  H17  1  0.892424  0.269685  0.311245  1
  H  H18  1  0.134913  0.132079  0.313270  1
  H  H19  1  0.582099  0.842461  0.342544  1
  H  H20  1  0.038788  0.804313  0.324380  1
  H  H21  1  0.304812  0.730291  0.370461  1
  H  H22  1  0.510634  0.439571  0.308474  1
  H  H23  1  0.468105  0.704264  0.374179  1
  H  H24  1  0.612596  0.427449  0.353210  1
  H  H25  1  0.749387  0.757029  0.350643  1
  H  H26  1  0.880071  0.488259  0.330923  1
  H  H27  1  0.918905  0.678865  0.351712  1
  H  H28  1  0.046082  0.380270  0.328602  1
  H  H29  1  0.300478  0.142862  0.351655  1
  H  H30  1  0.315744  0.330043  0.378716  1
  H  H31  1  0.388581  0.115725  0.401157  1
  H  H32  1  0.625625  0.033251  0.366199  1
  H  H33  1  0.807794  0.099173  0.299132  1
  H  H34  1  0.790172  0.344858  0.354810  1
  H  H35  1  0.895765  0.078365  0.345498  1
  H  H36  1  0.065968  0.010524  0.349058  1
  H  H37  1  0.636917  0.637144  0.373678  1
  H  H38  1  0.088931  0.590709  0.350792  1
  H  H39  1  0.265842  0.538116  0.352823  1
  H  H40  1  0.482821  0.288915  0.378394  1
  H  H41  1  0.439671  0.502338  0.355141  1
  H  H42  1  0.646133  0.243273  0.385572  1
  H  H43  1  0.809040  0.549898  0.376555  1
  H  H44  1  -0.036344  0.253149  0.357756  1
  H  H45  1  -0.019393  0.461552  0.376316  1
  H  H46  1  0.132444  0.199281  0.360918  1
  H  H47  1  0.236171  0.963714  0.351846  1
  H  H48  1  0.223744  0.185605  0.403142  1
  H  H49  1  0.334712  0.925143  0.392399  1
  H  H50  1  0.505083  0.905821  0.388572  1
  H  H51  1  0.795316  0.946425  0.368144  1
  H  H52  1  0.729055  0.158212  0.343983  1
  H  H53  1  -0.034303  0.866400  0.370157  1
  H  H54  1  0.138311  0.788714  0.367563  1
  H  H55  1  0.531752  0.494526  0.399215  1
  H  H56  1  0.148922  0.401790  0.379305  1
  H  H57  1  0.242605  0.396938  0.424799  1
  H  H58  1  0.412617  0.308043  0.426087  1
  H  H59  1  0.359517  0.516842  0.399675  1
  H  H60  1  0.546322  0.101143  0.409962  1
  H  H61  1  0.705286  0.427425  0.399565  1
  H  H62  1  0.815612  0.157822  0.388771  1
  H  H63  1  0.878325  0.336981  0.402075  1
  H  H64  1  -0.017256  0.072192  0.392340  1
  H  H65  1  0.226426  0.795360  0.415693  1
  H  H66  1  0.152110  1.004058  0.393850  1
  H  H67  1  0.395390  0.710741  0.419405  1
  H  H68  1  0.559683  0.707856  0.418701  1
  H  H69  1  0.673034  0.835039  0.394312  1
  H  H70  1  0.714040  0.034304  0.412097  1
  H  H71  1  0.845000  0.746922  0.396706  1
  H  H72  1  0.017169  0.657575  0.396764  1
  H  H73  1  0.573209  0.304064  0.429809  1
  H  H74  1  0.049277  0.251231  0.404908  1
  H  H75  1  0.140244  0.240213  0.450315  1
  H  H76  1  0.251301  1.001866  0.436552  1
  H  H77  1  0.308425  0.190164  0.449831  1
  H  H78  1  0.426649  0.920316  0.436464  1
  H  H79  1  0.740181  0.239895  0.432070  1
  H  H80  1  0.883505  0.944401  0.414754  1
  H  H81  1  0.908617  0.150710  0.435662  1
  H  H82  1  0.056866  0.853639  0.414960  1
  H  H83  1  0.187405  0.598576  0.397760  1
  H  H84  1  0.148111  0.843267  0.461852  1
  H  H85  1  0.280471  0.598311  0.444287  1
  H  H86  1  0.453277  0.504857  0.446452  1
  H  H87  1  0.730977  0.631079  0.420933  1
  H  H88  1  0.594788  0.904572  0.438522  1
  H  H89  1  0.904296  0.539457  0.422327  1
  H  H90  1  0.073372  0.452735  0.424585  1
  H  H91  1  0.472166  0.107845  0.456315  1
  H  H92  1  0.078286  0.057836  0.438025  1
  H  H93  1  0.178566  0.041432  0.482629  1
  H  H94  1  0.316358  0.802688  0.463082  1
  H  H95  1  0.349942  1.004365  0.482167  1
  H  H96  1  0.487778  0.708203  0.464934  1
  H  H97  1  0.635663  0.104017  0.457051  1
  H  H98  1  0.765888  0.833628  0.440413  1
  H  H99  1  0.803907  0.032826  0.458867  1
  H  H100  1  0.939524  0.739300  0.441809  1
  H  H101  1  0.168226  0.440916  0.470747  1
  H  H102  1  0.110737  0.648209  0.443373  1
  H  H103  1  0.336607  0.396584  0.471120  1
  H  H104  1  0.504993  0.304469  0.476181  1
  H  H105  1  0.622460  0.501443  0.445208  1
  H  H106  1  0.653606  0.703680  0.465754  1
  H  H107  1  0.795873  0.424779  0.446906  1
  H  H108  1  -0.032113  0.332522  0.449723  1
  H  H109  1  0.521460  0.905639  0.485021  1
  H  H110  1  -0.024466  0.937144  0.460586  1
  H  H111  1  0.068937  0.931498  0.507053  1
  H  H112  1  0.204903  0.636310  0.490186  1
  H  H113  1  0.240902  0.832423  0.509371  1
  H  H114  1  0.373573  0.601069  0.490215  1
  H  H115  1  0.688445  0.904301  0.485197  1
  H  H116  1  0.825005  0.628211  0.466856  1
  H  H117  1  0.860192  0.829114  0.486137  1
  H  H118  1  -0.003082  0.536035  0.469240  1
  H  H119  1  0.058117  0.328845  0.496008  1
  H  H120  1  0.090714  0.529369  0.515419  1
  H  H121  1  0.227724  0.232085  0.497560  1
  H  H122  1  0.392507  0.202178  0.500549  1
  H  H123  1  0.667178  0.307755  0.476302  1
  H  H124  1  0.545735  0.505596  0.492923  1
  H  H125  1  0.835080  0.236466  0.478912  1
  H  H126  1  0.006062  0.140637  0.481547  1
  H  H127  1  0.409115  0.802507  0.509645  1
  H  H128  1  0.033384  0.734040  0.488173  1
  H  H129  1  0.127295  0.727451  0.534493  1
  H  H130  1  0.262162  0.428500  0.517556  1
  H  H131  1  0.299946  0.625542  0.536822  1
  H  H132  1  0.428009  0.405991  0.519192  1
  H  H133  1  0.582210  0.701391  0.512256  1
  H  H134  1  0.715021  0.500092  0.492544  1
  H  H135  1  0.747656  0.701495  0.512155  1
  H  H136  1  0.886457  0.425386  0.494031  1
  H  H137  1  0.103315  0.133040  0.526551  1
  H  H138  1  -0.022635  0.424614  0.540649  1
  H  H139  1  0.274946  0.031824  0.528419  1
  H  H140  1  0.443701  1.004082  0.529256  1
  H  H141  1  0.561651  0.101167  0.504052  1
  H  H142  1  0.596776  0.302333  0.522695  1
  H  H143  1  0.725823  0.105693  0.503755  1
  H  H144  1  0.896035  0.029955  0.504961  1
  H  H145  1  0.467595  0.603236  0.537400  1
  H  H146  1  0.918168  0.626828  0.513415  1
  H  H147  1  0.011040  0.625357  0.559331  1
  H  H148  1  0.147633  0.324667  0.543046  1
  H  H149  1  0.184303  0.522317  0.561632  1
  H  H150  1  0.316091  0.224857  0.546638  1
  H  H151  1  0.638179  0.498963  0.539965  1
  H  H152  1  0.761616  0.304261  0.523308  1
  H  H153  1  0.806765  0.497713  0.539652  1
  H  H154  1  0.930744  0.232861  0.524630  1
  H  H155  1  -0.010997  0.029058  0.550889  1
  H  H156  1  0.025967  0.228710  0.570261  1
  H  H157  1  0.161930  0.927983  0.553550  1
  H  H158  1  0.334700  0.825593  0.555876  1
  H  H159  1  0.616188  0.899192  0.531912  1
  H  H160  1  0.482582  0.205350  0.547775  1
  H  H161  1  0.782057  0.902084  0.531310  1
  H  H162  1  -0.046628  0.827741  0.532122  1
  H  H163  1  0.354608  0.420745  0.565348  1
  H  H164  1  0.897801  0.489036  0.586468  1
  H  H165  1  0.067439  0.424703  0.587201  1
  H  H166  1  0.197691  0.126167  0.572832  1
  H  H167  1  0.237659  0.321028  0.590584  1
  H  H168  1  0.369496  0.022651  0.575520  1
  H  H169  1  0.520949  0.404958  0.566523  1
  H  H170  1  0.652832  0.097662  0.550525  1
  H  H171  1  0.689084  0.294292  0.569232  1
  H  H172  1  0.818759  0.099922  0.550326  1
  H  H173  1  0.046755  0.826941  0.577547  1
  H  H174  1  0.081670  0.026002  0.597379  1
  H  H175  1  0.220493  0.723264  0.580453  1
  H  H176  1  0.392547  0.620734  0.583587  1
  H  H177  1  0.502715  0.802713  0.556657  1
  H  H178  1  0.537552  1.003772  0.575937  1
  H  H179  1  0.675054  0.694396  0.558846  1
  H  H180  1  0.840660  0.697037  0.558731  1
  H  H181  1  0.408063  0.218540  0.594080  1
  H  H182  1  0.855948  0.296091  0.569472  1
  H  H183  1  0.949007  0.281485  0.615492  1
  H  H184  1  0.254758  0.921467  0.600090  1
  H  H185  1  0.118215  0.225875  0.616481  1
  H  H186  1  0.428211  0.818637  0.602799  1
  H  H187  1  0.574821  0.201798  0.595120  1
  H  H188  1  0.708416  0.892344  0.577974  1
  H  H189  1  0.743582  0.087671  0.596763  1
  H  H190  1  0.875406  0.893881  0.577594  1
  H  H191  1  0.933333  0.684542  0.605028  1
  H  H192  1  -0.030153  0.879821  0.622600  1
  H  H193  1  0.104617  0.625087  0.604300  1
  H  H194  1  0.276145  0.521170  0.608202  1
  H  H195  1  0.560367  0.601756  0.584555  1
  H  H196  1  0.595388  0.800295  0.603686  1
  H  H197  1  0.729802  0.488729  0.586260  1
  H  H198  1  0.819448  0.475696  0.632556  1
  H  H199  1  0.289940  0.119454  0.619179  1
  H  H200  1  0.911282  0.089524  0.596410  1
  H  H201  1  0.172394  0.020252  0.643962  1
  H  H202  1  0.140220  0.821724  0.624111  1
  H  H203  1  0.347644  0.914363  0.646201  1
  H  H204  1  0.312551  0.717536  0.627669  1
  H  H205  1  0.463150  0.017132  0.622125  1
  H  H206  1  0.766462  0.683519  0.604607  1
  H  H207  1  0.629954  0.997161  0.623469  1
  H  H208  1  0.855806  0.668114  0.650514  1
  H  H209  1  -0.010973  0.472933  0.632884  1
  H  H210  1  0.028187  0.666469  0.649273  1
  H  H211  1  0.158058  0.426272  0.633014  1
  H  H212  1  0.328661  0.321196  0.636726  1
  H  H213  1  0.445835  0.418606  0.612539  1
  H  H214  1  0.484039  0.616672  0.630695  1
  H  H215  1  0.613160  0.399658  0.613564  1
  H  H216  1  0.780203  0.282334  0.615069  1
  H  H217  1  0.436838  0.924659  0.694615  1
  H  H218  1  0.799816  0.878675  0.623413  1
  H  H219  1  0.894325  0.863327  0.666635  1
  H  H220  1  0.118210  0.649697  0.694812  1
  H  H221  1  0.061511  0.859584  0.669161  1
  H  H222  1  0.198493  0.619196  0.651257  1
  H  H223  1  0.519472  0.818815  0.650363  1
  H  H224  1  0.653317  0.594728  0.630794  1
  H  H225  1  0.688783  0.788620  0.649962  1
  H  H226  1  0.705986  0.389708  0.660063  1
  H  H227  1  0.872331  0.265840  0.660220  1
  H  H228  1  0.911963  0.456454  0.677432  1
  H  H229  1  0.041494  0.259557  0.662058  1
  H  H230  1  0.209616  0.224894  0.661458  1
  H  H231  1  0.498495  0.217450  0.641071  1
  H  H232  1  0.367251  0.516065  0.656680  1
  H  H233  1  0.665540  0.194193  0.642405  1
  H  H234  1  0.833613  0.074152  0.641774  1
  H  H235  1  0.230583  0.813291  0.672291  1
  H  H236  1  0.742942  0.585785  0.679611  1
  H  H237  1  -0.046753  0.648658  0.693396  1
  H  H238  1  0.082537  0.453883  0.678106  1
  H  H239  1  0.039156  0.641503  0.739379  1
  H  H240  1  0.250725  0.415777  0.679758  1
  H  H241  1  0.403213  0.714804  0.674545  1
  H  H242  1  0.537426  0.412924  0.659469  1
  H  H243  1  0.575921  0.612789  0.675390  1
  H  H244  1  0.759079  0.179955  0.688924  1
  H  H245  1  0.003148  0.070790  0.642864  1
  H  H246  1  -0.032647  0.239916  0.707479  1
  H  H247  1  0.264761  0.018435  0.687132  1
  H  H248  1  0.200637  0.038244  0.734210  1
  H  H249  1  0.380223  0.119372  0.664384  1
  H  H250  1  0.418416  0.309021  0.686080  1
  H  H251  1  0.721230  0.985452  0.670121  1
  H  H252  1  0.791121  0.787324  0.697534  1
  H  H253  1  0.285303  0.608071  0.702618  1
  H  H254  1  0.803995  0.372104  0.706521  1
  H  H255  1  0.005214  0.437717  0.722784  1
  H  H256  1  0.135965  0.247929  0.707202  1
  H  H257  1  0.180641  0.447879  0.725537  1
  H  H258  1  0.306590  0.204503  0.710708  1
  H  H259  1  0.457120  0.507636  0.703591  1
  H  H260  1  0.589660  0.217210  0.690198  1
  H  H261  1  0.632449  0.427236  0.707210  1
  H  H262  1  0.923964  0.056873  0.687356  1
  H  H263  1  -0.026636  0.852255  0.713599  1
  H  H264  1  0.095673  0.046118  0.690726  1
  H  H265  1  0.147987  0.834995  0.718990  1
  H  H266  1  0.322768  0.817595  0.717837  1
  H  H267  1  0.503126  0.706128  0.719412  1
  H  H268  1  0.551997  0.019988  0.670329  1
  H  H269  1  0.620040  0.808120  0.696907  1
  H  H270  1  0.839878  0.575896  0.723643  1
