# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41056029
_cell_length_b   8.09269469
_cell_length_c   48.02811987
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H162
_cell_volume   3252.60456656
_cell_formula_units_Z   81
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  0.895991  0.311631  0.304292  1
  H  H2  1  0.257598  0.973279  0.315345  1
  H  H3  1  0.330203  0.396852  0.278399  1
  H  H4  1  0.579107  0.650711  0.312601  1
  H  H5  1  0.655458  0.080428  0.273842  1
  H  H6  1  0.609939  0.358252  0.292131  1
  H  H7  1  -0.004136  0.721067  0.274796  1
  H  H8  1  0.936891  0.019578  0.289435  1
  H  H9  1  0.286964  0.677188  0.297150  1
  H  H10  1  0.722923  0.131857  0.318614  1
  H  H11  1  0.192905  0.910451  0.271024  1
  H  H12  1  0.147643  0.194330  0.286651  1
  H  H13  1  0.509585  0.605735  0.267931  1
  H  H14  1  0.470041  0.881460  0.285563  1
  H  H15  1  0.435103  0.161507  0.303684  1
  H  H16  1  0.788653  0.551081  0.281231  1
  H  H17  1  0.751534  0.836029  0.298120  1
  H  H18  1  0.091335  0.488645  0.301205  1
  H  H19  1  0.816492  0.211488  0.360355  1
  H  H20  1  0.145504  0.881057  0.359163  1
  H  H21  1  0.222356  0.273929  0.329540  1
  H  H22  1  0.500261  0.535773  0.364759  1
  H  H23  1  0.552141  0.940796  0.329695  1
  H  H24  1  0.525134  0.238947  0.347258  1
  H  H25  1  0.872037  0.619718  0.324396  1
  H  H26  1  0.842585  0.912967  0.341571  1
  H  H27  1  0.178830  0.575939  0.343126  1
  H  H28  1  0.645972  0.020723  0.371897  1
  H  H29  1  0.058435  0.800952  0.317596  1
  H  H30  1  0.021100  0.100265  0.332149  1
  H  H31  1  0.407412  0.457292  0.322775  1
  H  H32  1  0.373967  0.753035  0.340115  1
  H  H33  1  0.345297  0.055526  0.356436  1
  H  H34  1  0.700756  0.427173  0.335200  1
  H  H35  1  0.673753  0.725196  0.354437  1
  H  H36  1  0.989000  0.395609  0.347703  1
  H  H37  1  0.738012  0.100428  0.414464  1
  H  H38  1  0.055254  0.778134  0.408872  1
  H  H39  1  0.111747  0.180715  0.374368  1
  H  H40  1  0.399275  0.438516  0.412233  1
  H  H41  1  0.467294  0.834827  0.381723  1
  H  H42  1  0.435572  0.136726  0.397692  1
  H  H43  1  0.792349  0.506167  0.377844  1
  H  H44  1  0.765305  0.804556  0.396685  1
  H  H45  1  0.081383  0.477729  0.390559  1
  H  H46  1  0.558002  0.916195  0.423557  1
  H  H47  1  0.962573  0.697817  0.366691  1
  H  H48  1  0.934121  0.994228  0.384318  1
  H  H49  1  0.309430  0.357533  0.370839  1
  H  H50  1  0.270704  0.657611  0.384990  1
  H  H51  1  0.237116  0.961774  0.400641  1
  H  H52  1  0.618894  0.318314  0.389774  1
  H  H53  1  0.590858  0.616347  0.406907  1
  H  H54  1  0.908626  0.291052  0.402716  1
  H  H55  1  0.649289  0.997754  0.465286  1
  H  H56  1  0.977492  0.667460  0.463003  1
  H  H57  1  0.027841  0.074837  0.426741  1
  H  H58  1  0.295870  0.342432  0.458536  1
  H  H59  1  0.361335  0.740212  0.426641  1
  H  H60  1  0.327649  0.043121  0.442359  1
  H  H61  1  0.710982  0.399096  0.432163  1
  H  H62  1  0.681927  0.697513  0.448997  1
  H  H63  1  0.002002  0.371388  0.445058  1
  H  H64  1  0.451770  0.822440  0.468312  1
  H  H65  1  0.884574  0.587019  0.420453  1
  H  H66  1  0.858433  0.884342  0.439001  1
  H  H67  1  0.204206  0.261670  0.416397  1
  H  H68  1  0.174380  0.559252  0.433142  1
  H  H69  1  0.147624  0.858585  0.451191  1
  H  H70  1  0.525195  0.218194  0.439182  1
  H  H71  1  0.488259  0.520506  0.453637  1
  H  H72  1  0.831078  0.181060  0.456806  1
  H  H73  1  0.542324  0.904279  0.509993  1
  H  H74  1  0.895482  0.561124  0.516583  1
  H  H75  1  0.951019  0.964537  0.481387  1
  H  H76  1  0.213673  0.235633  0.511815  1
  H  H77  1  0.266902  0.640608  0.475567  1
  H  H78  1  0.240167  0.939125  0.493581  1
  H  H79  1  0.615326  0.300120  0.480621  1
  H  H80  1  0.577954  0.602425  0.495040  1
  H  H81  1  0.923493  0.261827  0.499136  1
  H  H82  1  0.359418  0.721538  0.517938  1
  H  H83  1  0.803388  0.480039  0.474388  1
  H  H84  1  0.773218  0.778715  0.491014  1
  H  H85  1  0.120568  0.155271  0.469265  1
  H  H86  1  0.095222  0.451636  0.487522  1
  H  H87  1  0.070391  0.747859  0.505499  1
  H  H88  1  0.418858  0.124314  0.484197  1
  H  H89  1  0.387772  0.423405  0.500670  1
  H  H90  1  0.739944  0.079440  0.506972  1
  H  H91  1  0.452100  0.802214  0.560295  1
  H  H92  1  0.794827  0.464434  0.563594  1
  H  H93  1  0.864473  0.860068  0.532973  1
  H  H94  1  0.135921  0.125619  0.566131  1
  H  H95  1  0.188353  0.531852  0.530032  1
  H  H96  1  0.163066  0.827975  0.547940  1
  H  H97  1  0.510074  0.205592  0.526116  1
  H  H98  1  0.479760  0.504346  0.542832  1
  H  H99  1  0.830342  0.161014  0.548581  1
  H  H100  1  0.281501  0.611821  0.572568  1
  H  H101  1  0.705284  0.382170  0.522076  1
  H  H102  1  0.667919  0.684324  0.536499  1
  H  H103  1  0.043623  0.044980  0.523764  1
  H  H104  1  0.015590  0.342720  0.541403  1
  H  H105  1  0.987214  0.642370  0.558797  1
  H  H106  1  0.332802  0.019495  0.536053  1
  H  H107  1  0.307001  0.315916  0.554429  1
  H  H108  1  0.632925  0.985840  0.551687  1
  H  H109  1  0.373662  0.691593  0.615170  1
  H  H110  1  0.692025  0.368041  0.610212  1
  H  H111  1  0.757738  0.766022  0.578060  1
  H  H112  1  0.047429  0.022932  0.616672  1
  H  H113  1  0.107353  0.423613  0.583595  1
  H  H114  1  0.079297  0.723405  0.601092  1
  H  H115  1  0.425812  0.099624  0.578593  1
  H  H116  1  0.401070  0.396082  0.597149  1
  H  H117  1  0.723115  0.066799  0.593392  1
  H  H118  1  0.199105  0.503858  0.625668  1
  H  H119  1  0.601515  0.286742  0.568096  1
  H  H120  1  0.571371  0.585396  0.585037  1
  H  H121  1  0.955544  0.941272  0.574907  1
  H  H122  1  0.919995  0.243040  0.590058  1
  H  H123  1  0.884727  0.546154  0.605250  1
  H  H124  1  0.255779  0.907814  0.590211  1
  H  H125  1  0.228557  0.206840  0.608402  1
  H  H126  1  0.544437  0.882454  0.602798  1
  H  H127  1  0.287537  0.583549  0.667757  1
  H  H128  1  0.613727  0.257581  0.663667  1
  H  H129  1  0.662892  0.665793  0.627201  1
  H  H130  1  0.936492  0.930925  0.661044  1
  H  H131  1  0.010013  0.323814  0.631534  1
  H  H132  1  0.976986  0.627427  0.646967  1
  H  H133  1  0.347176  0.987550  0.632310  1
  H  H134  1  0.319560  0.288781  0.650721  1
  H  H135  1  0.638978  0.961923  0.645324  1
  H  H136  1  0.096846  0.403200  0.672971  1
  H  H137  1  0.518276  0.178950  0.621313  1
  H  H138  1  0.494492  0.476398  0.640182  1
  H  H139  1  0.848596  0.846809  0.619623  1
  H  H140  1  0.813956  0.147909  0.634745  1
  H  H141  1  0.784731  0.449872  0.652196  1
  H  H142  1  0.170691  0.806019  0.643553  1
  H  H143  1  0.137726  0.103805  0.658700  1
  H  H144  1  0.465853  0.770459  0.657588  1
  H  H145  1  0.164183  0.481984  0.715582  1
  H  H146  1  0.503430  0.123079  0.718130  1
  H  H147  1  0.590430  0.554310  0.683435  1
  H  H148  1  0.829400  0.798467  0.714091  1
  H  H149  1  0.901820  0.227025  0.676176  1
  H  H150  1  0.872287  0.522372  0.695583  1
  H  H151  1  0.262943  0.889900  0.686534  1
  H  H152  1  0.224085  0.182611  0.701069  1
  H  H153  1  0.552476  0.842467  0.700648  1
  H  H154  1  0.975620  0.284640  0.720216  1
  H  H155  1  0.440444  0.068313  0.673547  1
  H  H156  1  0.410471  0.366729  0.693467  1
  H  H157  1  0.757043  0.744722  0.669082  1
  H  H158  1  0.728569  0.037055  0.689258  1
  H  H159  1  0.694945  0.318176  0.707967  1
  H  H160  1  0.062462  0.714214  0.688960  1
  H  H161  1  0.013476  1.003657  0.704322  1
  H  H162  1  0.368506  0.654827  0.710907  1
