# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78456813
_cell_length_b   22.67649829
_cell_length_c   50.67158827
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4348.67385265
_cell_formula_units_Z   108
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  1.001900  0.930416  0.237819  1
  H  H2  1  0.996592  0.253255  0.253470  1
  H  H3  1  1.000467  0.581958  0.272873  1
  H  H4  1  1.001531  0.001482  0.269109  1
  H  H5  1  1.003348  0.327352  0.284649  1
  H  H6  1  0.996182  0.670064  0.249759  1
  H  H7  1  0.924891  0.089799  0.245817  1
  H  H8  1  0.919632  0.414709  0.263319  1
  H  H9  1  0.920113  0.745825  0.280654  1
  H  H10  1  0.920791  0.164573  0.276716  1
  H  H11  1  0.922242  0.507322  0.242233  1
  H  H12  1  0.921359  0.833704  0.257455  1
  H  H13  1  0.500518  0.914709  0.263319  1
  H  H14  1  0.500038  0.245825  0.280654  1
  H  H15  1  0.495259  0.589799  0.245817  1
  H  H16  1  0.497909  0.007322  0.242233  1
  H  H17  1  0.498791  0.333704  0.257455  1
  H  H18  1  0.499359  0.664573  0.276716  1
  H  H19  1  0.419683  0.081958  0.272873  1
  H  H20  1  0.418250  0.430416  0.237819  1
  H  H21  1  0.423558  0.753255  0.253470  1
  H  H22  1  0.423968  0.170064  0.249759  1
  H  H23  1  0.418619  0.501482  0.269109  1
  H  H24  1  0.416802  0.827352  0.284649  1
  H  H25  1  1.002167  0.910256  0.288468  1
  H  H26  1  1.003145  0.239828  0.305741  1
  H  H27  1  1.006383  0.568548  0.322177  1
  H  H28  1  1.005432  -0.013303  0.317864  1
  H  H29  1  1.005972  0.315996  0.334640  1
  H  H30  1  1.002906  0.657774  0.301712  1
  H  H31  1  0.914623  0.076271  0.297701  1
  H  H32  1  0.916540  0.403886  0.313613  1
  H  H33  1  0.915080  0.733832  0.330603  1
  H  H34  1  0.915302  0.151790  0.326608  1
  H  H35  1  0.915618  0.491956  0.292925  1
  H  H36  1  0.915342  0.822210  0.309560  1
  H  H37  1  0.503611  0.903886  0.313613  1
  H  H38  1  0.505070  0.233832  0.330603  1
  H  H39  1  0.505527  0.576271  0.297701  1
  H  H40  1  0.504532  -0.008044  0.292925  1
  H  H41  1  0.504808  0.322210  0.309560  1
  H  H42  1  0.504848  0.651790  0.326608  1
  H  H43  1  0.413767  0.068548  0.322177  1
  H  H44  1  0.417983  0.410256  0.288468  1
  H  H45  1  0.417005  0.739828  0.305741  1
  H  H46  1  0.417245  0.157774  0.301712  1
  H  H47  1  0.414718  0.486697  0.317864  1
  H  H48  1  0.414178  0.815996  0.334640  1
  H  H49  1  1.004830  0.898273  0.338569  1
  H  H50  1  1.006465  0.227602  0.355503  1
  H  H51  1  1.007039  0.556462  0.372049  1
  H  H52  1  1.006732  -0.025632  0.367840  1
  H  H53  1  1.006773  0.303695  0.384546  1
  H  H54  1  1.005893  0.645053  0.351261  1
  H  H55  1  0.913171  0.062781  0.347070  1
  H  H56  1  0.914602  0.392027  0.363640  1
  H  H57  1  0.913257  0.721234  0.380386  1
  H  H58  1  0.913771  0.139001  0.376252  1
  H  H59  1  0.913755  0.480293  0.342771  1
  H  H60  1  0.913670  0.809970  0.359540  1
  H  H61  1  0.505548  0.892027  0.363640  1
  H  H62  1  0.506894  0.221234  0.380386  1
  H  H63  1  0.506979  0.562781  0.347070  1
  H  H64  1  0.506395  -0.019707  0.342771  1
  H  H65  1  0.506480  0.309970  0.359540  1
  H  H66  1  0.506379  0.639001  0.376252  1
  H  H67  1  0.413111  0.056462  0.372049  1
  H  H68  1  0.415320  0.398273  0.338569  1
  H  H69  1  0.413685  0.727602  0.355503  1
  H  H70  1  0.414257  0.145053  0.351261  1
  H  H71  1  0.413418  0.474368  0.367840  1
  H  H72  1  0.413377  0.803695  0.384546  1
  H  H73  1  1.006133  0.885872  0.388639  1
  H  H74  1  1.007192  0.215077  0.405365  1
  H  H75  1  1.007180  0.544219  0.421976  1
  H  H76  1  1.007247  -0.037988  0.417786  1
  H  H77  1  1.006928  0.291264  0.434464  1
  H  H78  1  1.006738  0.632772  0.401190  1
  H  H79  1  0.912975  0.050418  0.397030  1
  H  H80  1  0.913618  0.379669  0.413631  1
  H  H81  1  0.912849  0.708865  0.430315  1
  H  H82  1  0.913214  0.126647  0.426159  1
  H  H83  1  0.913068  0.468151  0.392812  1
  H  H84  1  0.913238  0.797431  0.409484  1
  H  H85  1  0.506532  0.879669  0.413631  1
  H  H86  1  0.507301  0.208865  0.430315  1
  H  H87  1  0.507175  0.550418  0.397030  1
  H  H88  1  0.507082  -0.031849  0.392812  1
  H  H89  1  0.506912  0.297431  0.409484  1
  H  H90  1  0.506936  0.626647  0.426159  1
  H  H91  1  0.412970  0.044219  0.421976  1
  H  H92  1  0.414017  0.385872  0.388639  1
  H  H93  1  0.412958  0.715077  0.405365  1
  H  H94  1  0.413412  0.132772  0.401190  1
  H  H95  1  0.412903  0.462012  0.417786  1
  H  H96  1  0.413222  0.791264  0.434464  1
  H  H97  1  1.006742  0.873462  0.438589  1
  H  H98  1  1.007365  0.202710  0.455281  1
  H  H99  1  1.007083  0.531901  0.471888  1
  H  H100  1  1.007365  0.949646  0.467707  1
  H  H101  1  1.006742  0.278895  0.484399  1
  H  H102  1  1.007083  0.620455  0.451101  1
  H  H103  1  0.912996  0.038066  0.446931  1
  H  H104  1  0.913265  0.367297  0.463566  1
  H  H105  1  0.912812  0.696516  0.480238  1
  H  H106  1  0.912996  0.114290  0.476058  1
  H  H107  1  0.912812  0.455841  0.442751  1
  H  H108  1  0.913265  0.785060  0.459423  1
  H  H109  1  0.506886  0.867297  0.463566  1
  H  H110  1  0.507338  0.196516  0.480238  1
  H  H111  1  0.507154  0.538066  0.446931  1
  H  H112  1  0.507338  -0.044159  0.442751  1
  H  H113  1  0.506886  0.285060  0.459423  1
  H  H114  1  0.507154  0.614290  0.476058  1
  H  H115  1  0.413067  0.031901  0.471888  1
  H  H116  1  0.413408  0.373462  0.438589  1
  H  H117  1  0.412785  0.702710  0.455281  1
  H  H118  1  0.413067  0.120455  0.451101  1
  H  H119  1  0.412785  0.449646  0.467707  1
  H  H120  1  0.413408  0.778895  0.484399  1
  H  H121  1  1.006928  0.861092  0.488525  1
  H  H122  1  1.007247  0.190344  0.505203  1
  H  H123  1  1.006738  0.519585  0.521799  1
  H  H124  1  1.007192  0.937279  0.517624  1
  H  H125  1  1.006133  0.266484  0.534350  1
  H  H126  1  1.007180  0.608138  0.501013  1
  H  H127  1  0.913214  0.025710  0.496830  1
  H  H128  1  0.913238  0.354926  0.513505  1
  H  H129  1  0.913068  0.684205  0.530177  1
  H  H130  1  0.912975  0.101938  0.525958  1
  H  H131  1  0.912849  0.443491  0.492674  1
  H  H132  1  0.913618  0.772688  0.509358  1
  H  H133  1  0.506912  0.854926  0.513505  1
  H  H134  1  0.507082  0.184205  0.530177  1
  H  H135  1  0.506936  0.525710  0.496830  1
  H  H136  1  0.507301  0.943491  0.492674  1
  H  H137  1  0.506532  0.272688  0.509358  1
  H  H138  1  0.507175  0.601938  0.525958  1
  H  H139  1  0.413412  0.019585  0.521799  1
  H  H140  1  0.413222  0.361092  0.488525  1
  H  H141  1  0.412903  0.690344  0.505203  1
  H  H142  1  0.412970  0.108138  0.501013  1
  H  H143  1  0.412958  0.437279  0.517624  1
  H  H144  1  0.414017  0.766484  0.534350  1
  H  H145  1  1.006773  0.848662  0.538443  1
  H  H146  1  1.006732  0.177989  0.555149  1
  H  H147  1  1.005893  0.507304  0.571728  1
  H  H148  1  1.006465  0.924755  0.567486  1
  H  H149  1  1.004830  0.254083  0.584420  1
  H  H150  1  1.007039  0.595895  0.550940  1
  H  H151  1  0.913771  0.013355  0.546737  1
  H  H152  1  0.913670  0.342386  0.563449  1
  H  H153  1  0.913755  0.672064  0.580218  1
  H  H154  1  0.913171  0.089575  0.575918  1
  H  H155  1  0.913257  0.431122  0.542603  1
  H  H156  1  0.914602  0.760330  0.559349  1
  H  H157  1  0.506480  0.842386  0.563449  1
  H  H158  1  0.506395  0.172064  0.580218  1
  H  H159  1  0.506379  0.513355  0.546737  1
  H  H160  1  0.506894  0.931122  0.542603  1
  H  H161  1  0.505548  0.260330  0.559349  1
  H  H162  1  0.506979  0.589575  0.575918  1
  H  H163  1  0.414257  0.007304  0.571728  1
  H  H164  1  0.413377  0.348662  0.538443  1
  H  H165  1  0.413418  0.677989  0.555149  1
  H  H166  1  0.413111  0.095895  0.550940  1
  H  H167  1  0.413685  0.424755  0.567486  1
  H  H168  1  0.415320  0.754083  0.584420  1
  H  H169  1  1.005972  0.836360  0.588349  1
  H  H170  1  1.005432  0.165660  0.605125  1
  H  H171  1  1.002906  0.494582  0.621277  1
  H  H172  1  1.003145  0.912529  0.617248  1
  H  H173  1  1.002167  0.242101  0.634521  1
  H  H174  1  1.006383  0.583808  0.600812  1
  H  H175  1  0.915302  0.000567  0.596381  1
  H  H176  1  0.915342  0.330146  0.613429  1
  H  H177  1  0.915618  0.660401  0.630064  1
  H  H178  1  0.914623  0.076085  0.625288  1
  H  H179  1  0.915080  0.418525  0.592385  1
  H  H180  1  0.916540  0.748471  0.609376  1
  H  H181  1  0.504808  0.830146  0.613429  1
  H  H182  1  0.504532  0.160401  0.630064  1
  H  H183  1  0.504848  0.500567  0.596381  1
  H  H184  1  0.505070  0.918525  0.592385  1
  H  H185  1  0.503611  0.248471  0.609376  1
  H  H186  1  0.505527  0.576085  0.625288  1
  H  H187  1  0.417245  -0.005418  0.621277  1
  H  H188  1  0.414178  0.336360  0.588349  1
  H  H189  1  0.414718  0.665660  0.605125  1
  H  H190  1  0.413767  0.083808  0.600812  1
  H  H191  1  0.417005  0.412529  0.617248  1
  H  H192  1  0.417983  0.742101  0.634521  1
  H  H193  1  1.003348  0.825005  0.638340  1
  H  H194  1  1.001531  0.150874  0.653880  1
  H  H195  1  0.996182  0.482293  0.673230  1
  H  H196  1  0.996592  0.899101  0.669519  1
  H  H197  1  1.001900  0.221940  0.685170  1
  H  H198  1  1.000467  0.570399  0.650116  1
  H  H199  1  0.920791  -0.012216  0.646273  1
  H  H200  1  0.921359  0.318652  0.665534  1
  H  H201  1  0.922242  0.645034  0.680756  1
  H  H202  1  0.924891  0.062558  0.677172  1
  H  H203  1  0.920113  0.406532  0.642334  1
  H  H204  1  0.919632  0.737648  0.659670  1
  H  H205  1  0.498791  0.818652  0.665534  1
  H  H206  1  0.497909  0.145034  0.680756  1
  H  H207  1  0.499359  0.487784  0.646273  1
  H  H208  1  0.500038  0.906532  0.642334  1
  H  H209  1  0.500518  0.237648  0.659670  1
  H  H210  1  0.495259  0.562558  0.677172  1
  H  H211  1  0.423968  -0.017707  0.673230  1
  H  H212  1  0.416802  0.325005  0.638340  1
  H  H213  1  0.418619  0.650874  0.653880  1
  H  H214  1  0.419683  0.070399  0.650116  1
  H  H215  1  0.423558  0.399101  0.669519  1
  H  H216  1  0.418250  0.721940  0.685170  1
