# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10439835
_cell_length_b   15.56877675
_cell_length_c   45.83549291
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.16362331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2908.08500317
_cell_formula_units_Z   72
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  0.055057  0.243367  0.293358  1
  H  H2  1  0.750972  0.752376  0.307715  1
  H  H3  1  -0.014941  0.989965  0.288353  1
  H  H4  1  0.371318  0.499380  0.300120  1
  H  H5  1  0.949180  0.841743  0.274849  1
  H  H6  1  0.644234  0.363848  0.285827  1
  H  H7  1  0.307960  0.105313  0.279309  1
  H  H8  1  0.627394  0.620933  0.291387  1
  H  H9  1  0.529639  0.258493  0.319099  1
  H  H10  1  0.252008  0.769568  0.330224  1
  H  H11  1  0.495652  1.006951  0.314376  1
  H  H12  1  0.866836  0.514002  0.324723  1
  H  H13  1  0.414331  0.875818  0.297367  1
  H  H14  1  0.127540  0.379199  0.310683  1
  H  H15  1  0.780551  0.126397  0.304252  1
  H  H16  1  0.128400  0.635247  0.316127  1
  H  H17  1  0.008907  0.274974  0.343762  1
  H  H18  1  0.745539  0.784673  0.356095  1
  H  H19  1  -0.001624  1.022232  0.338372  1
  H  H20  1  0.361917  0.530121  0.349665  1
  H  H21  1  0.892576  0.888709  0.323504  1
  H  H22  1  0.618329  0.394794  0.335441  1
  H  H23  1  0.262528  0.141124  0.329374  1
  H  H24  1  0.619012  0.649034  0.341399  1
  H  H25  1  0.493489  0.291291  0.368245  1
  H  H26  1  0.236768  0.800073  0.379845  1
  H  H27  1  0.499797  0.036976  0.362752  1
  H  H28  1  0.858425  0.546027  0.373961  1
  H  H29  1  0.381315  0.902759  0.347286  1
  H  H30  1  0.112739  0.411207  0.359337  1
  H  H31  1  0.750955  0.156519  0.353542  1
  H  H32  1  0.110188  0.665723  0.365026  1
  H  H33  1  -0.016823  0.307558  0.392595  1
  H  H34  1  0.727664  0.815998  0.404625  1
  H  H35  1  -0.003386  0.053130  0.386770  1
  H  H36  1  0.351919  0.562202  0.398331  1
  H  H37  1  0.872590  0.918639  0.371878  1
  H  H38  1  0.609030  0.427268  0.383508  1
  H  H39  1  0.242843  0.172342  0.377813  1
  H  H40  1  0.601161  0.681356  0.389532  1
  H  H41  1  0.475209  0.323423  0.417007  1
  H  H42  1  0.219438  0.831622  0.428879  1
  H  H43  1  0.490354  0.069010  0.411112  1
  H  H44  1  0.845154  0.577837  0.422741  1
  H  H45  1  0.363650  0.934038  0.395895  1
  H  H46  1  0.104288  0.442945  0.407673  1
  H  H47  1  0.736078  0.188383  0.401988  1
  H  H48  1  0.092866  0.697185  0.413643  1
  H  H49  1  -0.032211  0.339183  0.441362  1
  H  H50  1  0.711556  0.847486  0.453318  1
  H  H51  1  -0.016972  0.084797  0.435370  1
  H  H52  1  0.337702  0.593607  0.447109  1
  H  H53  1  0.855983  0.950065  0.420233  1
  H  H54  1  0.597914  0.458684  0.431989  1
  H  H55  1  0.228897  0.204230  0.426262  1
  H  H56  1  0.585003  0.712866  0.438067  1
  H  H57  1  0.460498  0.354937  0.465716  1
  H  H58  1  0.203847  0.863289  0.477614  1
  H  H59  1  0.475365  0.100590  0.459701  1
  H  H60  1  0.830391  0.609337  0.471463  1
  H  H61  1  0.348493  0.965793  0.444460  1
  H  H62  1  0.090982  0.474367  0.456300  1
  H  H63  1  0.721549  0.219936  0.450565  1
  H  H64  1  0.077236  0.728603  0.462362  1
  H  H65  1  0.953176  0.370690  0.490058  1
  H  H66  1  0.696202  0.879131  0.501954  1
  H  H67  1  -0.032231  0.116369  0.484006  1
  H  H68  1  0.322969  0.625104  0.495806  1
  H  H69  1  0.841031  0.981630  0.468782  1
  H  H70  1  0.583775  0.490124  0.480633  1
  H  H71  1  0.214098  0.235699  0.474891  1
  H  H72  1  0.569508  0.744396  0.486702  1
  H  H73  1  0.445872  0.386439  0.514392  1
  H  H74  1  0.188616  0.894933  0.526243  1
  H  H75  1  0.460139  0.132167  0.508323  1
  H  H76  1  0.815550  0.640864  0.520135  1
  H  H77  1  0.333445  0.997432  0.493072  1
  H  H78  1  0.076472  0.505872  0.504968  1
  H  H79  1  0.706678  0.251458  0.499220  1
  H  H80  1  0.061879  0.760194  0.511020  1
  H  H81  1  0.938665  0.402196  0.538725  1
  H  H82  1  0.681154  0.910770  0.550566  1
  H  H83  1  0.952411  0.147960  0.532664  1
  H  H84  1  0.308098  0.656626  0.544461  1
  H  H85  1  0.825800  1.013274  0.517412  1
  H  H86  1  0.569149  0.521626  0.529309  1
  H  H87  1  0.199256  0.267226  0.523563  1
  H  H88  1  0.554282  0.775973  0.535324  1
  H  H89  1  0.431733  0.417879  0.563037  1
  H  H90  1  0.173664  0.926498  0.574793  1
  H  H91  1  0.444644  0.163697  0.556959  1
  H  H92  1  0.800750  0.672333  0.568764  1
  H  H93  1  0.318091  1.029077  0.541708  1
  H  H94  1  0.061858  0.537380  0.553664  1
  H  H95  1  0.691945  0.282956  0.547917  1
  H  H96  1  0.046619  0.791766  0.559655  1
  H  H97  1  0.925359  0.433618  0.587353  1
  H  H98  1  0.665998  0.942525  0.599130  1
  H  H99  1  0.936782  0.179378  0.581383  1
  H  H100  1  0.293569  0.688180  0.593038  1
  H  H101  1  0.810209  0.044941  0.566147  1
  H  H102  1  0.554439  0.553139  0.578019  1
  H  H103  1  0.184494  0.298726  0.572285  1
  H  H104  1  0.539293  0.807553  0.583914  1
  H  H105  1  0.420617  0.449294  0.611518  1
  H  H106  1  0.157057  0.957924  0.623147  1
  H  H107  1  0.428487  0.195207  0.605494  1
  H  H108  1  0.786804  0.704221  0.617212  1
  H  H109  1  0.301983  0.060564  0.590401  1
  H  H110  1  0.046470  0.569005  0.602430  1
  H  H111  1  0.677728  0.314361  0.596695  1
  H  H112  1  0.033033  0.823433  0.608256  1
  H  H113  1  0.916909  0.465355  0.635689  1
  H  H114  1  0.648332  0.973804  0.647740  1
  H  H115  1  0.919459  0.210840  0.629999  1
  H  H116  1  0.278692  0.720044  0.641484  1
  H  H117  1  0.792879  0.076490  0.615181  1
  H  H118  1  0.536158  0.585271  0.626781  1
  H  H119  1  0.171222  0.330536  0.621065  1
  H  H120  1  0.529850  0.839587  0.632274  1
  H  H121  1  0.411318  0.481769  0.659585  1
  H  H122  1  0.137071  0.987854  0.671521  1
  H  H123  1  0.410636  0.227529  0.653626  1
  H  H124  1  0.767119  0.735438  0.665651  1
  H  H125  1  0.284108  0.091890  0.638930  1
  H  H126  1  0.020740  0.601589  0.651264  1
  H  H127  1  0.667730  0.346442  0.645361  1
  H  H128  1  0.031271  0.854331  0.656654  1
  H  H129  1  0.902107  0.497364  0.684343  1
  H  H130  1  0.615316  1.000744  0.697659  1
  H  H131  1  0.901247  0.241316  0.678898  1
  H  H132  1  0.249096  0.750166  0.690773  1
  H  H133  1  0.777639  0.106995  0.664802  1
  H  H134  1  0.500008  0.618070  0.675927  1
  H  H135  1  0.162811  0.362561  0.670303  1
  H  H136  1  0.533995  0.869612  0.680650  1
  H  H137  1  0.385413  0.512715  0.709199  1
  H  H138  1  0.080467  0.034820  0.720177  1
  H  H139  1  0.402253  0.255630  0.703639  1
  H  H140  1  0.721687  0.771250  0.715717  1
  H  H141  1  0.278675  0.124187  0.687311  1
  H  H142  1  -0.025410  0.633196  0.701668  1
  H  H143  1  0.658329  0.377183  0.694905  1
  H  H144  1  0.044588  0.886597  0.706673  1
