# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.63475994
_cell_length_b   7.01341554
_cell_length_c   41.58486015
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.86573869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2968.23756294
_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  0.536096  1.058246  0.344812  1
  H  H2  1  0.538511  0.729108  0.345083  1
  H  H3  1  0.750196  0.977248  0.344381  1
  H  H4  1  0.159088  1.012566  0.332983  1
  H  H5  1  0.158210  0.678105  0.332921  1
  H  H6  1  0.150512  0.337945  0.333282  1
  H  H7  1  0.533557  0.392269  0.344759  1
  H  H8  1  -0.043787  0.775076  0.331058  1
  H  H9  1  -0.045529  0.429271  0.330736  1
  H  H10  1  0.320034  0.925617  0.361371  1
  H  H11  1  0.319843  0.591606  0.360952  1
  H  H12  1  0.475962  0.847438  0.392003  1
  H  H13  1  -0.102874  0.889882  0.377670  1
  H  H14  1  -0.103113  0.556240  0.377372  1
  H  H15  1  -0.100358  0.220957  0.375944  1
  H  H16  1  0.318843  0.259317  0.361386  1
  H  H17  1  0.737908  0.636505  0.346472  1
  H  H18  1  0.736110  0.305969  0.346638  1
  H  H19  1  0.095198  0.804830  0.378712  1
  H  H20  1  0.095372  0.473930  0.378864  1
  H  H21  1  0.253812  0.721479  0.407127  1
  H  H22  1  0.674352  0.765437  0.391957  1
  H  H23  1  0.673013  0.431229  0.392389  1
  H  H24  1  0.674786  1.096099  0.391540  1
  H  H25  1  0.094216  1.136659  0.378606  1
  H  H26  1  0.476028  0.514921  0.391890  1
  H  H27  1  0.476310  0.180893  0.391777  1
  H  H28  1  0.830973  0.681357  0.422331  1
  H  H29  1  0.831487  0.347122  0.421767  1
  H  H30  1  0.029547  0.597879  0.423828  1
  H  H31  1  0.409647  0.639619  0.436832  1
  H  H32  1  0.410009  0.306645  0.436619  1
  H  H33  1  0.409959  0.973472  0.436723  1
  H  H34  1  0.831260  1.015755  0.422314  1
  H  H35  1  0.253293  0.388152  0.407145  1
  H  H36  1  0.253469  1.054841  0.407174  1
  H  H37  1  0.608483  0.557076  0.437787  1
  H  H38  1  0.608921  0.222880  0.437583  1
  H  H39  1  0.766187  0.473837  0.467204  1
  H  H40  1  0.187075  0.514959  0.452447  1
  H  H41  1  0.187134  0.181782  0.452437  1
  H  H42  1  0.187409  0.848363  0.452461  1
  H  H43  1  0.608729  0.890058  0.437704  1
  H  H44  1  0.029568  0.264162  0.423586  1
  H  H45  1  0.029765  0.930325  0.423807  1
  H  H46  1  0.344377  0.433051  0.481661  1
  H  H47  1  0.344465  1.100000  0.481634  1
  H  H48  1  0.542812  0.349631  0.483047  1
  H  H49  1  -0.035966  0.390102  0.468854  1
  H  H50  1  -0.035795  1.057004  0.468911  1
  H  H51  1  -0.035919  0.723496  0.468966  1
  H  H52  1  0.344453  0.766609  0.481700  1
  H  H53  1  0.766169  1.141221  0.467371  1
  H  H54  1  0.766180  0.807701  0.467414  1
  H  H55  1  0.121627  0.308225  0.497819  1
  H  H56  1  0.121724  0.974916  0.497818  1
  H  H57  1  0.279125  0.226271  0.526825  1
  H  H58  1  0.700703  0.267210  0.512575  1
  H  H59  1  0.700683  0.933863  0.512587  1
  H  H60  1  0.700763  0.600311  0.512536  1
  H  H61  1  0.121688  0.641514  0.497832  1
  H  H62  1  0.542785  1.016440  0.483111  1
  H  H63  1  0.542761  0.683109  0.483156  1
  H  H64  1  -0.101324  0.183157  0.514164  1
  H  H65  1  -0.101326  0.849851  0.514160  1
  H  H66  1  0.056167  1.101215  0.543124  1
  H  H67  1  0.477192  1.142504  0.528396  1
  H  H68  1  0.477169  0.809236  0.528424  1
  H  H69  1  0.477244  0.475691  0.528361  1
  H  H70  1  -0.101363  0.516370  0.514141  1
  H  H71  1  0.279168  0.893063  0.526861  1
  H  H72  1  0.279152  0.559585  0.526838  1
  H  H73  1  0.635155  1.060013  0.557873  1
  H  H74  1  0.635150  0.726480  0.557834  1
  H  H75  1  0.833180  0.976111  0.559353  1
  H  H76  1  0.213663  1.019423  0.572105  1
  H  H77  1  0.213688  0.685777  0.572022  1
  H  H78  1  0.213693  0.352369  0.572073  1
  H  H79  1  0.635208  0.393336  0.557886  1
  H  H80  1  0.056139  0.767926  0.543123  1
  H  H81  1  0.056141  0.434445  0.543124  1
  H  H82  1  0.411648  0.935553  0.573683  1
  H  H83  1  0.411804  0.601672  0.573542  1
  H  H84  1  0.569514  0.852773  0.603173  1
  H  H85  1  -0.009455  0.894560  0.588465  1
  H  H86  1  -0.009333  0.560844  0.588429  1
  H  H87  1  -0.009236  0.227322  0.588454  1
  H  H88  1  0.411695  0.268549  0.573594  1
  H  H89  1  0.833222  0.642782  0.559357  1
  H  H90  1  0.833265  0.309460  0.559405  1
  H  H91  1  0.148381  0.812298  0.617113  1
  H  H92  1  0.148367  0.478130  0.617277  1
  H  H93  1  0.346819  0.727436  0.618563  1
  H  H94  1  0.767733  0.769227  0.604474  1
  H  H95  1  0.767938  0.436064  0.604576  1
  H  H96  1  0.768012  1.102630  0.604491  1
  H  H97  1  0.148417  1.145881  0.617572  1
  H  H98  1  0.569210  0.519441  0.603296  1
  H  H99  1  0.569276  0.186488  0.603257  1
  H  H100  1  -0.075685  0.687703  0.633730  1
  H  H101  1  -0.074500  0.353595  0.633769  1
  H  H102  1  0.082809  0.605626  0.661984  1
  H  H103  1  0.503904  0.646499  0.649036  1
  H  H104  1  0.503356  0.312541  0.649183  1
  H  H105  1  0.504506  0.979163  0.648703  1
  H  H106  1  -0.075043  1.021398  0.634016  1
  H  H107  1  0.346862  0.393924  0.618807  1
  H  H108  1  0.346515  1.062718  0.618995  1
  H  H109  1  0.701323  0.561905  0.649525  1
  H  H110  1  0.702043  0.228862  0.649316  1
  H  H111  1  0.857262  0.479807  0.678756  1
  H  H112  1  0.282439  0.517955  0.663592  1
  H  H113  1  0.281076  0.188906  0.664890  1
  H  H114  1  0.283149  0.855031  0.663116  1
  H  H115  1  0.702737  0.895632  0.649369  1
  H  H116  1  0.083046  0.272073  0.663199  1
  H  H117  1  0.082417  0.937995  0.662167  1
  H  H118  1  0.437326  0.440079  0.695132  1
  H  H119  1  0.439282  1.102019  0.694407  1
  H  H120  1  0.638462  0.352471  0.695122  1
  H  H121  1  0.017524  0.407745  0.707959  1
  H  H122  1  0.015775  1.060711  0.707624  1
  H  H123  1  0.016610  0.731247  0.706964  1
  H  H124  1  0.439211  0.773002  0.695068  1
  H  H125  1  0.859005  0.148953  0.679497  1
  H  H126  1  0.857407  0.814162  0.679336  1
  H  H127  1  0.209273  0.309977  0.711829  1
  H  H128  1  0.214365  0.975541  0.707777  1
  H  H129  1  0.376801  0.230909  0.739529  1
  H  H130  1  0.801516  0.276424  0.727275  1
  H  H131  1  0.794082  0.943357  0.726513  1
  H  H132  1  0.798876  0.604661  0.726116  1
  H  H133  1  0.219313  0.647460  0.706831  1
  H  H134  1  0.639345  1.020847  0.694650  1
  H  H135  1  0.639050  0.687177  0.695082  1
  H  H136  1  -0.000533  0.229506  0.753341  1
  H  H137  1  -0.043021  0.852644  0.753349  1
  H  H138  1  0.167870  1.059243  0.756748  1
  H  H139  1  0.575224  1.140001  0.741298  1
  H  H140  1  0.568555  0.806684  0.741349  1
  H  H141  1  0.576814  0.479259  0.741578  1
  H  H142  1  0.121187  0.666145  0.753280  1
  H  H143  1  0.357538  0.890480  0.741956  1
  H  H144  1  0.358372  0.556301  0.742324  1
