# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.20500452
_cell_length_b   11.70365520
_cell_length_c   47.94233653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H240
_cell_volume   4751.04766333
_cell_formula_units_Z   120
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  0.008996  0.997384  0.313230  1
  H  H2  1  0.509323  0.003083  0.316881  1
  H  H3  1  0.446205  0.370840  0.301311  1
  H  H4  1  0.886307  0.752268  0.287106  1
  H  H5  1  0.945303  0.370826  0.301173  1
  H  H6  1  0.380821  0.742389  0.287378  1
  H  H7  1  0.477927  0.185429  0.308202  1
  H  H8  1  0.978530  0.185443  0.308196  1
  H  H9  1  0.915229  0.559334  0.293811  1
  H  H10  1  0.046702  0.822558  0.325033  1
  H  H11  1  0.413278  0.555482  0.294155  1
  H  H12  1  0.546918  0.822947  0.324853  1
  H  H13  1  0.228175  0.185315  0.308290  1
  H  H14  1  0.726946  0.182894  0.307643  1
  H  H15  1  0.664968  0.556538  0.294020  1
  H  H16  1  0.794981  0.822786  0.324766  1
  H  H17  1  0.162734  0.556620  0.294017  1
  H  H18  1  0.600630  0.929742  0.280189  1
  H  H19  1  0.259359  0.997372  0.313231  1
  H  H20  1  0.764734  0.003130  0.316894  1
  H  H21  1  0.696579  0.370794  0.301179  1
  H  H22  1  0.137074  0.752275  0.287111  1
  H  H23  1  0.195691  0.370855  0.301305  1
  H  H24  1  0.632605  0.742219  0.287384  1
  H  H25  1  0.717214  0.914621  0.360614  1
  H  H26  1  0.218828  0.915253  0.359909  1
  H  H27  1  0.149755  0.278269  0.345141  1
  H  H28  1  0.580693  0.641203  0.331258  1
  H  H29  1  0.649515  0.277748  0.344884  1
  H  H30  1  0.082010  0.642238  0.331043  1
  H  H31  1  0.182378  0.093931  0.351368  1
  H  H32  1  0.683578  0.096368  0.352547  1
  H  H33  1  0.615703  0.460344  0.338064  1
  H  H34  1  0.751328  0.732037  0.367448  1
  H  H35  1  0.115444  0.460352  0.338058  1
  H  H36  1  0.251440  0.732033  0.367450  1
  H  H37  1  0.935252  0.095874  0.352217  1
  H  H38  1  0.431437  0.095856  0.352221  1
  H  H39  1  0.365471  0.460164  0.338180  1
  H  H40  1  0.501204  0.731688  0.367546  1
  H  H41  1  0.865924  0.461035  0.337912  1
  H  H42  1  0.298659  0.822778  0.324773  1
  H  H43  1  0.967211  0.915249  0.359910  1
  H  H44  1  0.468160  0.914625  0.360613  1
  H  H45  1  0.399325  0.278263  0.345146  1
  H  H46  1  0.831051  0.642250  0.331039  1
  H  H47  1  0.899044  0.277747  0.344879  1
  H  H48  1  0.331333  0.641218  0.331254  1
  H  H49  1  0.422032  0.823277  0.403571  1
  H  H50  1  0.922161  0.823703  0.403370  1
  H  H51  1  0.854344  0.187126  0.388442  1
  H  H52  1  0.285350  0.550177  0.374357  1
  H  H53  1  0.353154  0.186875  0.388328  1
  H  H54  1  0.785594  0.550372  0.374242  1
  H  H55  1  0.888294  0.005825  0.396070  1
  H  H56  1  0.388254  0.005825  0.396073  1
  H  H57  1  0.319921  0.369080  0.381428  1
  H  H58  1  0.455843  0.640982  0.410673  1
  H  H59  1  0.819681  0.368594  0.381162  1
  H  H60  1  0.955954  0.641191  0.410612  1
  H  H61  1  0.638347  0.005987  0.396281  1
  H  H62  1  0.138219  0.005699  0.395767  1
  H  H63  1  0.069573  0.368681  0.381282  1
  H  H64  1  0.205795  0.641154  0.410622  1
  H  H65  1  0.569872  0.368683  0.381288  1
  H  H66  1  0.001356  0.731964  0.367532  1
  H  H67  1  0.671933  0.823271  0.403573  1
  H  H68  1  0.172253  0.823709  0.403368  1
  H  H69  1  0.104481  0.186880  0.388324  1
  H  H70  1  0.535573  0.550175  0.374360  1
  H  H71  1  0.603534  0.187125  0.388446  1
  H  H72  1  0.035538  0.550370  0.374242  1
  H  H73  1  0.126476  0.732381  0.446753  1
  H  H74  1  0.626481  0.732221  0.446820  1
  H  H75  1  0.558432  0.096398  0.432201  1
  H  H76  1  0.989923  0.459302  0.417622  1
  H  H77  1  0.058605  0.096255  0.432086  1
  H  H78  1  0.490150  0.459336  0.417703  1
  H  H79  1  0.592527  0.914400  0.439585  1
  H  H80  1  0.092584  0.914500  0.439431  1
  H  H81  1  0.024350  0.277680  0.424767  1
  H  H82  1  0.160393  0.550295  0.453958  1
  H  H83  1  0.524032  0.277681  0.424770  1
  H  H84  1  0.660558  0.550295  0.453959  1
  H  H85  1  0.342486  0.914428  0.439520  1
  H  H86  1  0.842602  0.914429  0.439520  1
  H  H87  1  0.774224  0.277742  0.424761  1
  H  H88  1  0.910482  0.550304  0.453944  1
  H  H89  1  0.274201  0.277702  0.424796  1
  H  H90  1  0.706071  0.641152  0.410622  1
  H  H91  1  0.376397  0.732224  0.446819  1
  H  H92  1  0.876564  0.732379  0.446755  1
  H  H93  1  0.808644  0.096397  0.432199  1
  H  H94  1  0.239894  0.459333  0.417701  1
  H  H95  1  0.308331  0.096254  0.432089  1
  H  H96  1  0.740097  0.459303  0.417623  1
  H  H97  1  0.830974  0.641288  0.490169  1
  H  H98  1  0.330897  0.641240  0.490186  1
  H  H99  1  0.262859  0.005171  0.475626  1
  H  H100  1  0.694591  0.368552  0.461095  1
  H  H101  1  0.762927  0.005176  0.475663  1
  H  H102  1  0.194592  0.368548  0.461118  1
  H  H103  1  0.296871  0.823203  0.482930  1
  H  H104  1  0.796942  0.823202  0.482930  1
  H  H105  1  0.728820  0.187005  0.468370  1
  H  H106  1  0.865043  0.459491  0.497385  1
  H  H107  1  0.228783  0.186937  0.468345  1
  H  H108  1  0.365037  0.459483  0.497395  1
  H  H109  1  0.046926  0.823240  0.482905  1
  H  H110  1  0.546894  0.823179  0.482948  1
  H  H111  1  0.478724  0.186968  0.468356  1
  H  H112  1  0.615073  0.459494  0.497389  1
  H  H113  1  0.978876  0.186967  0.468354  1
  H  H114  1  0.410450  0.550250  0.453980  1
  H  H115  1  0.080920  0.641289  0.490169  1
  H  H116  1  0.580945  0.641239  0.490186  1
  H  H117  1  0.512865  0.005176  0.475664  1
  H  H118  1  0.944610  0.368551  0.461094  1
  H  H119  1  0.012931  0.005172  0.475625  1
  H  H120  1  0.444600  0.368548  0.461119  1
  H  H121  1  0.535479  0.550360  0.533648  1
  H  H122  1  0.035422  0.550374  0.533656  1
  H  H123  1  0.967284  0.913987  0.519072  1
  H  H124  1  0.399195  0.277825  0.504596  1
  H  H125  1  0.467272  0.913994  0.519079  1
  H  H126  1  0.899214  0.277827  0.504597  1
  H  H127  1  0.001316  0.732077  0.526371  1
  H  H128  1  0.501311  0.732065  0.526366  1
  H  H129  1  0.433254  0.095969  0.511813  1
  H  H130  1  0.569698  0.368813  0.540870  1
  H  H131  1  0.933286  0.095968  0.511813  1
  H  H132  1  0.069643  0.368813  0.540871  1
  H  H133  1  0.751328  0.732068  0.526368  1
  H  H134  1  0.251297  0.732068  0.526368  1
  H  H135  1  0.183265  0.095959  0.511806  1
  H  H136  1  0.319670  0.368816  0.540871  1
  H  H137  1  0.683277  0.095980  0.511820  1
  H  H138  1  0.115014  0.459494  0.497388  1
  H  H139  1  0.785494  0.550374  0.533656  1
  H  H140  1  0.285421  0.550360  0.533648  1
  H  H141  1  0.217268  0.913987  0.519072  1
  H  H142  1  0.649197  0.277827  0.504598  1
  H  H143  1  0.717288  0.913994  0.519079  1
  H  H144  1  0.149209  0.277825  0.504595  1
  H  H145  1  0.240062  0.459770  0.577219  1
  H  H146  1  0.740177  0.459733  0.577237  1
  H  H147  1  0.671627  0.822769  0.562508  1
  H  H148  1  0.103739  0.186958  0.547987  1
  H  H149  1  0.171640  0.822715  0.562525  1
  H  H150  1  0.603732  0.186935  0.548004  1
  H  H151  1  0.705828  0.641029  0.569905  1
  H  H152  1  0.205691  0.641027  0.569906  1
  H  H153  1  0.137659  0.004803  0.555193  1
  H  H154  1  0.274257  0.278052  0.584247  1
  H  H155  1  0.637693  0.004862  0.555206  1
  H  H156  1  0.774174  0.277883  0.584274  1
  H  H157  1  0.455756  0.641019  0.569875  1
  H  H158  1  0.955782  0.641074  0.569945  1
  H  H159  1  0.887651  0.004829  0.555205  1
  H  H160  1  0.024239  0.278019  0.584240  1
  H  H161  1  0.387698  0.004829  0.555203  1
  H  H162  1  0.819657  0.368784  0.540880  1
  H  H163  1  0.490180  0.459771  0.577218  1
  H  H164  1  0.990028  0.459731  0.577238  1
  H  H165  1  0.921586  0.822716  0.562526  1
  H  H166  1  0.353738  0.186958  0.547987  1
  H  H167  1  0.421658  0.822767  0.562507  1
  H  H168  1  0.853727  0.186935  0.548005  1
  H  H169  1  0.944323  0.368403  0.620600  1
  H  H170  1  0.444684  0.368866  0.620599  1
  H  H171  1  0.375906  0.731426  0.606012  1
  H  H172  1  0.808210  0.095992  0.591327  1
  H  H173  1  0.875882  0.731501  0.606146  1
  H  H174  1  0.308237  0.096004  0.591259  1
  H  H175  1  0.410512  0.550604  0.613636  1
  H  H176  1  0.910513  0.550606  0.613750  1
  H  H177  1  0.841894  0.913485  0.598565  1
  H  H178  1  0.979029  0.187210  0.627484  1
  H  H179  1  0.342065  0.913479  0.598561  1
  H  H180  1  0.478629  0.187225  0.627475  1
  H  H181  1  0.160163  0.550534  0.613689  1
  H  H182  1  0.660795  0.550544  0.613687  1
  H  H183  1  0.592058  0.913634  0.598557  1
  H  H184  1  0.728573  0.186729  0.627633  1
  H  H185  1  0.091900  0.913330  0.598531  1
  H  H186  1  0.524246  0.278019  0.584237  1
  H  H187  1  0.194603  0.368854  0.620603  1
  H  H188  1  0.694504  0.368412  0.620598  1
  H  H189  1  0.625971  0.731430  0.606011  1
  H  H190  1  0.058237  0.096007  0.591262  1
  H  H191  1  0.126062  0.731500  0.606146  1
  H  H192  1  0.558251  0.095989  0.591325  1
  H  H193  1  0.648528  0.276547  0.663812  1
  H  H194  1  0.148789  0.277150  0.663788  1
  H  H195  1  0.081116  0.642494  0.650275  1
  H  H196  1  0.512550  0.004995  0.634477  1
  H  H197  1  0.581512  0.641557  0.649954  1
  H  H198  1  0.013161  0.005207  0.634247  1
  H  H199  1  0.114142  0.458788  0.656840  1
  H  H200  1  0.615037  0.458811  0.656837  1
  H  H201  1  0.546160  0.821936  0.641745  1
  H  H202  1  0.682829  0.095316  0.670800  1
  H  H203  1  0.046298  0.822216  0.641950  1
  H  H204  1  0.183114  0.095902  0.670508  1
  H  H205  1  0.864610  0.458837  0.656836  1
  H  H206  1  0.364703  0.459038  0.656830  1
  H  H207  1  0.297040  0.822358  0.641953  1
  H  H208  1  0.432672  0.095820  0.670447  1
  H  H209  1  0.795709  0.822354  0.641954  1
  H  H210  1  0.228902  0.187335  0.627503  1
  H  H211  1  0.898399  0.276529  0.663816  1
  H  H212  1  0.398777  0.277192  0.663778  1
  H  H213  1  0.330391  0.641548  0.649956  1
  H  H214  1  0.762882  0.004998  0.634481  1
  H  H215  1  0.831745  0.642498  0.650273  1
  H  H216  1  0.262505  0.005205  0.634239  1
  H  H217  1  0.348879  0.177037  0.707869  1
  H  H218  1  0.847207  0.176970  0.707839  1
  H  H219  1  0.785742  0.551008  0.693664  1
  H  H220  1  0.218970  0.915433  0.677029  1
  H  H221  1  0.284375  0.549541  0.693614  1
  H  H222  1  0.714599  0.915251  0.677673  1
  H  H223  1  0.817633  0.365190  0.700674  1
  H  H224  1  0.317001  0.363942  0.700767  1
  H  H225  1  0.253854  0.737513  0.687499  1
  H  H226  1  0.387770  0.986588  0.714924  1
  H  H227  1  0.753804  0.737486  0.687499  1
  H  H228  1  0.868504  0.986431  0.714963  1
  H  H229  1  0.567435  0.364154  0.700739  1
  H  H230  1  0.066809  0.364170  0.700743  1
  H  H231  1  0.004731  0.739300  0.688030  1
  H  H232  1  0.127840  0.985841  0.714618  1
  H  H233  1  0.501973  0.733800  0.686781  1
  H  H234  1  0.933456  0.095784  0.670466  1
  H  H235  1  0.599773  0.176905  0.707833  1
  H  H236  1  0.098099  0.176998  0.707883  1
  H  H237  1  0.035394  0.551015  0.693665  1
  H  H238  1  0.470928  0.915289  0.677675  1
  H  H239  1  0.535279  0.549526  0.693613  1
  H  H240  1  0.966674  0.915418  0.677037  1
