# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24837784
_cell_length_b   8.14335489
_cell_length_c   47.97322954
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.01205940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H160
_cell_volume   3214.5340997
_cell_formula_units_Z   80
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  0.405607  0.339515  0.294774  1
  H  H2  1  0.955163  0.393118  0.273376  1
  H  H3  1  0.488321  0.613928  0.285123  1
  H  H4  1  0.956872  0.569084  0.310353  1
  H  H5  1  0.372261  0.796749  0.318379  1
  H  H6  1  0.906861  0.840651  0.295677  1
  H  H7  1  0.322660  0.068750  0.305110  1
  H  H8  1  0.868905  0.119342  0.282885  1
  H  H9  1  1.139537  0.309850  0.306967  1
  H  H10  1  0.677183  0.363730  0.284154  1
  H  H11  1  0.215201  0.580416  0.295519  1
  H  H12  1  0.767314  0.632845  0.274893  1
  H  H13  1  0.177909  0.861637  0.283874  1
  H  H14  1  0.636819  0.821657  0.306650  1
  H  H15  1  1.054629  0.048962  0.317568  1
  H  H16  1  0.592198  0.092795  0.293756  1
  H  H17  1  0.340872  0.256094  0.340886  1
  H  H18  1  0.871470  0.302389  0.319209  1
  H  H19  1  0.425362  0.525500  0.330612  1
  H  H20  1  0.894584  0.486014  0.354403  1
  H  H21  1  0.307767  0.715124  0.363268  1
  H  H22  1  0.838486  0.760046  0.341015  1
  H  H23  1  0.253694  -0.012533  0.350963  1
  H  H24  1  0.786744  0.032007  0.328490  1
  H  H25  1  1.074204  0.236337  0.352530  1
  H  H26  1  0.605560  0.279121  0.329680  1
  H  H27  1  1.161872  0.502811  0.342206  1
  H  H28  1  0.690810  0.548735  0.320218  1
  H  H29  1  1.107216  0.776261  0.329733  1
  H  H30  1  0.573231  0.737020  0.352066  1
  H  H31  1  0.986906  -0.033064  0.362333  1
  H  H32  1  0.520081  0.009587  0.339736  1
  H  H33  1  0.278861  0.172783  0.386008  1
  H  H34  1  0.808418  0.215656  0.363791  1
  H  H35  1  0.362706  0.442604  0.375996  1
  H  H36  1  0.826942  0.401059  0.398979  1
  H  H37  1  0.241501  0.633576  0.408061  1
  H  H38  1  0.774562  0.675832  0.385802  1
  H  H39  1  0.189756  0.904679  0.396154  1
  H  H40  1  0.720545  -0.052826  0.373627  1
  H  H41  1  1.013941  0.151626  0.397434  1
  H  H42  1  0.543657  0.194482  0.374806  1
  H  H43  1  1.095803  0.421963  0.387527  1
  H  H44  1  0.628541  0.463853  0.364797  1
  H  H45  1  1.041616  0.695305  0.374371  1
  H  H46  1  0.508454  0.654181  0.396949  1
  H  H47  1  0.924540  0.884258  0.407472  1
  H  H48  1  0.455084  0.925426  0.384866  1
  H  H49  1  0.219666  0.088508  0.431635  1
  H  H50  1  0.748965  0.130705  0.408874  1
  H  H51  1  0.288711  0.358281  0.421333  1
  H  H52  1  0.743842  0.314491  0.444218  1
  H  H53  1  1.164527  0.547652  0.452740  1
  H  H54  1  0.705046  0.591729  0.430539  1
  H  H55  1  1.130322  0.821695  0.441476  1
  H  H56  1  0.659503  0.863915  0.418863  1
  H  H57  1  0.955048  0.066929  0.443195  1
  H  H58  1  0.484180  0.109626  0.420166  1
  H  H59  1  1.017307  0.336558  0.432706  1
  H  H60  1  0.558224  0.379887  0.410120  1
  H  H61  1  0.973760  0.612885  0.419166  1
  H  H62  1  0.435381  0.569903  0.441711  1
  H  H63  1  0.865480  0.799629  0.452852  1
  H  H64  1  0.394937  0.843002  0.430142  1
  H  H65  1  1.160393  -0.000906  0.477923  1
  H  H66  1  0.690236  0.044836  0.454809  1
  H  H67  1  0.193828  0.270002  0.467184  1
  H  H68  1  0.642943  0.225122  0.490189  1
  H  H69  1  1.069450  0.456367  0.497953  1
  H  H70  1  0.619162  0.501764  0.475264  1
  H  H71  1  1.070577  0.730702  0.487088  1
  H  H72  1  0.600462  0.777085  0.464304  1
  H  H73  1  0.895821  -0.024562  0.489481  1
  H  H74  1  0.425316  0.022118  0.466360  1
  H  H75  1  0.918512  0.247465  0.478706  1
  H  H76  1  0.469048  0.292157  0.455680  1
  H  H77  1  0.892758  0.524843  0.463927  1
  H  H78  1  0.344471  0.478995  0.486553  1
  H  H79  1  0.805905  0.707037  0.498539  1
  H  H80  1  0.335379  0.754207  0.475693  1
  H  H81  1  1.101769  0.904756  0.523870  1
  H  H82  1  0.631243  -0.048075  0.501023  1
  H  H83  1  1.092678  0.179968  0.513009  1
  H  H84  1  0.544391  0.134120  0.535636  1
  H  H85  1  0.968100  0.366805  0.543883  1
  H  H86  1  0.518637  0.411497  0.520857  1
  H  H87  1  1.011833  0.636845  0.533202  1
  H  H88  1  0.541328  0.683524  0.510082  1
  H  H89  1  0.836687  0.881878  0.535259  1
  H  H90  1  0.366572  0.928261  0.512475  1
  H  H91  1  0.817986  0.157199  0.524299  1
  H  H92  1  0.367698  0.202596  0.501610  1
  H  H93  1  0.794205  0.433841  0.509374  1
  H  H94  1  0.243321  0.388960  0.532378  1
  H  H95  1  0.746913  0.614127  0.544753  1
  H  H96  1  0.276755  0.659869  0.521639  1
  H  H97  1  1.042211  0.815961  0.569420  1
  H  H98  1  0.571668  0.859334  0.546710  1
  H  H99  1  1.001767  0.089060  0.557852  1
  H  H100  1  0.463389  0.046077  0.580397  1
  H  H101  1  0.878924  0.279075  0.589443  1
  H  H102  1  0.419842  0.322405  0.566856  1
  H  H103  1  0.952968  0.549337  0.579397  1
  H  H104  1  0.482101  0.592033  0.556367  1
  H  H105  1  0.777646  0.795048  0.580700  1
  H  H106  1  0.306826  0.837268  0.558087  1
  H  H107  1  0.732102  0.067234  0.569023  1
  H  H108  1  0.272622  0.111311  0.546822  1
  H  H109  1  0.693306  0.344472  0.555344  1
  H  H110  1  1.148438  0.300682  0.578229  1
  H  H111  1  0.688183  0.528257  0.590689  1
  H  H112  1  0.217482  0.570454  0.567928  1
  H  H113  1  0.982064  0.733536  0.614697  1
  H  H114  1  0.512608  0.774705  0.592091  1
  H  H115  1  0.928694  0.004782  0.602614  1
  H  H116  1  0.395533  -0.036342  0.625191  1
  H  H117  1  0.808608  0.195110  0.634766  1
  H  H118  1  0.341346  0.237000  0.612036  1
  H  H119  1  0.893492  0.464480  0.624757  1
  H  H120  1  0.423207  0.507337  0.602128  1
  H  H121  1  0.716604  0.711788  0.625936  1
  H  H122  1  0.247392  0.754284  0.603409  1
  H  H123  1  0.662587  -0.016869  0.613761  1
  H  H124  1  0.195647  0.025387  0.591502  1
  H  H125  1  0.610206  0.257904  0.600584  1
  H  H126  1  1.074442  0.216359  0.623566  1
  H  H127  1  0.628731  0.443307  0.635772  1
  H  H128  1  1.158288  0.486180  0.613555  1
  H  H129  1  0.917068  0.649376  0.659827  1
  H  H130  1  0.450242  0.692027  0.637229  1
  H  H131  1  0.863917  0.921943  0.647497  1
  H  H132  1  0.329933  0.882702  0.669830  1
  H  H133  1  0.746339  0.110228  0.679345  1
  H  H134  1  0.275276  0.156152  0.657357  1
  H  H135  1  0.831589  0.379841  0.669883  1
  H  H136  1  0.362944  0.422626  0.647033  1
  H  H137  1  0.650405  0.626956  0.671072  1
  H  H138  1  0.183455  0.671496  0.648599  1
  H  H139  1  0.598663  0.898917  0.658548  1
  H  H140  1  1.129382  0.943838  0.636295  1
  H  H141  1  0.542565  0.172949  0.645160  1
  H  H142  1  1.011787  0.133463  0.668950  1
  H  H143  1  0.565679  0.356574  0.680353  1
  H  H144  1  1.096276  0.402869  0.658677  1
  H  H145  1  0.844951  0.566168  0.705807  1
  H  H146  1  0.382520  0.610001  0.681995  1
  H  H147  1  0.800329  0.837306  0.692913  1
  H  H148  1  0.259240  0.797325  0.715688  1
  H  H149  1  0.669835  0.026118  0.724669  1
  H  H150  1  0.221948  0.078547  0.704044  1
  H  H151  1  0.759965  0.295233  0.715409  1
  H  H152  1  0.297612  0.349112  0.692596  1
  H  H153  1  0.568244  0.539621  0.716677  1
  H  H154  1  1.114489  0.590213  0.694453  1
  H  H155  1  0.530288  0.818312  0.703885  1
  H  H156  1  1.064888  0.862214  0.681184  1
  H  H157  1  0.480277  0.089878  0.689210  1
  H  H158  1  0.948828  0.045035  0.714440  1
  H  H159  1  0.481986  0.265844  0.726186  1
  H  H160  1  1.031542  0.319448  0.704788  1
