# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20266330
_cell_length_b   11.70020144
_cell_length_c   49.25825138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.21006006
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H234
_cell_volume   4683.82637502
_cell_formula_units_Z   117
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  0.964347  0.582171  0.279206  1
  H  H2  1  0.297680  0.248837  0.279206  1
  H  H3  1  0.234653  0.582785  0.291334  1
  H  H4  1  0.631013  0.915504  0.279206  1
  H  H5  1  0.567986  0.249452  0.291334  1
  H  H6  1  0.681932  0.600807  0.268280  1
  H  H7  1  0.901319  0.916119  0.291334  1
  H  H8  1  0.015265  0.267474  0.268280  1
  H  H9  1  0.348598  0.934140  0.268280  1
  H  H10  1  0.903708  0.769400  0.259935  1
  H  H11  1  0.237041  0.436067  0.259935  1
  H  H12  1  0.195369  0.765369  0.270842  1
  H  H13  1  0.570374  0.102734  0.259935  1
  H  H14  1  0.528703  0.432036  0.270842  1
  H  H15  1  0.481471  0.750519  0.283016  1
  H  H16  1  0.862036  0.098703  0.270842  1
  H  H17  1  0.814804  0.417186  0.283016  1
  H  H18  1  0.148137  0.083853  0.283016  1
  H  H19  1  0.770192  0.562826  0.315099  1
  H  H20  1  0.103525  0.229493  0.315099  1
  H  H21  1  0.036839  0.559134  0.326560  1
  H  H22  1  0.436858  0.896159  0.315099  1
  H  H23  1  0.370172  0.225801  0.326560  1
  H  H24  1  0.500071  0.572826  0.304103  1
  H  H25  1  0.703506  0.892468  0.326560  1
  H  H26  1  0.833404  0.239493  0.304103  1
  H  H27  1  0.166737  0.906160  0.304103  1
  H  H28  1  0.758301  0.742114  0.297502  1
  H  H29  1  0.091634  0.408781  0.297502  1
  H  H30  1  0.030523  0.736279  0.307410  1
  H  H31  1  0.424967  0.075447  0.297502  1
  H  H32  1  0.363856  0.402945  0.307410  1
  H  H33  1  0.302707  0.730198  0.318958  1
  H  H34  1  0.697189  0.069612  0.307410  1
  H  H35  1  0.636040  0.396865  0.318958  1
  H  H36  1  0.969373  0.063532  0.318958  1
  H  H37  1  0.573829  0.543545  0.349782  1
  H  H38  1  0.907163  0.210211  0.349782  1
  H  H39  1  0.842663  0.536527  0.361089  1
  H  H40  1  0.240496  0.876878  0.349782  1
  H  H41  1  0.175997  0.203194  0.361089  1
  H  H42  1  0.304421  0.550865  0.338016  1
  H  H43  1  0.509330  0.869861  0.361089  1
  H  H44  1  0.637754  0.217532  0.338016  1
  H  H45  1  0.971087  0.884199  0.338016  1
  H  H46  1  0.573342  0.721634  0.330814  1
  H  H47  1  0.906675  0.388300  0.330814  1
  H  H48  1  0.844121  0.714878  0.342422  1
  H  H49  1  0.240008  0.054967  0.330814  1
  H  H50  1  0.177454  0.381545  0.342422  1
  H  H51  1  0.114019  0.708284  0.353515  1
  H  H52  1  0.510788  0.048211  0.342422  1
  H  H53  1  0.447353  0.374951  0.353515  1
  H  H54  1  0.780686  0.041617  0.353515  1
  H  H55  1  0.380311  0.522344  0.383948  1
  H  H56  1  0.713644  0.189011  0.383948  1
  H  H57  1  0.649764  0.515154  0.395479  1
  H  H58  1  0.046977  0.855678  0.383948  1
  H  H59  1  0.983098  0.181820  0.395479  1
  H  H60  1  0.111261  0.529892  0.372495  1
  H  H61  1  0.316431  0.848487  0.395479  1
  H  H62  1  0.444594  0.196559  0.372495  1
  H  H63  1  0.777928  0.863225  0.372495  1
  H  H64  1  0.383222  0.700613  0.365074  1
  H  H65  1  0.716556  0.367279  0.365074  1
  H  H66  1  0.652710  0.693693  0.376689  1
  H  H67  1  0.049889  0.033946  0.365074  1
  H  H68  1  0.986043  0.360360  0.376689  1
  H  H69  1  0.922167  0.686644  0.388139  1
  H  H70  1  0.319377  0.027027  0.376689  1
  H  H71  1  0.255501  0.353311  0.388139  1
  H  H72  1  0.588834  0.019978  0.388139  1
  H  H73  1  0.188171  0.501062  0.418400  1
  H  H74  1  0.521504  0.167729  0.418400  1
  H  H75  1  0.457469  0.493849  0.429873  1
  H  H76  1  0.854838  0.834395  0.418400  1
  H  H77  1  0.790803  0.160516  0.429873  1
  H  H78  1  0.918948  0.508175  0.406943  1
  H  H79  1  0.124136  0.827182  0.429873  1
  H  H80  1  0.252282  0.174842  0.406943  1
  H  H81  1  0.585615  0.841508  0.406943  1
  H  H82  1  0.191389  0.679477  0.399547  1
  H  H83  1  0.524722  0.346143  0.399547  1
  H  H84  1  0.460627  0.672203  0.411048  1
  H  H85  1  0.858056  0.012810  0.399547  1
  H  H86  1  0.793961  0.338869  0.411048  1
  H  H87  1  0.729930  0.665128  0.422562  1
  H  H88  1  0.127294  0.005536  0.411048  1
  H  H89  1  0.063263  0.331795  0.422562  1
  H  H90  1  0.396596  0.998461  0.422562  1
  H  H91  1  0.996045  0.479587  0.452840  1
  H  H92  1  0.329378  0.146253  0.452840  1
  H  H93  1  0.265323  0.472453  0.464314  1
  H  H94  1  0.662711  0.812920  0.452840  1
  H  H95  1  0.598656  0.139120  0.464314  1
  H  H96  1  0.726780  0.486683  0.441361  1
  H  H97  1  0.931990  0.805786  0.464314  1
  H  H98  1  0.060113  0.153349  0.441361  1
  H  H99  1  0.393446  0.820016  0.441361  1
  H  H100  1  0.999238  0.658019  0.434030  1
  H  H101  1  0.332571  0.324686  0.434030  1
  H  H102  1  0.268496  0.650855  0.445494  1
  H  H103  1  0.665904  0.991352  0.434030  1
  H  H104  1  0.601829  0.317521  0.445494  1
  H  H105  1  0.537767  0.643685  0.456980  1
  H  H106  1  0.935163  0.984188  0.445494  1
  H  H107  1  0.871100  0.310352  0.456980  1
  H  H108  1  0.204433  0.977018  0.456980  1
  H  H109  1  0.803881  0.458137  0.487271  1
  H  H110  1  0.137214  0.124803  0.487271  1
  H  H111  1  0.073163  0.451012  0.498747  1
  H  H112  1  0.470547  0.791470  0.487271  1
  H  H113  1  0.406497  0.117678  0.498747  1
  H  H114  1  0.534604  0.465288  0.475793  1
  H  H115  1  0.739830  0.784345  0.498747  1
  H  H116  1  0.867938  0.131954  0.475793  1
  H  H117  1  0.201271  0.798621  0.475793  1
  H  H118  1  0.807054  0.636558  0.468465  1
  H  H119  1  0.140387  0.303224  0.468465  1
  H  H120  1  0.076336  0.629433  0.479941  1
  H  H121  1  0.473720  0.969891  0.468465  1
  H  H122  1  0.409670  0.296099  0.479941  1
  H  H123  1  0.345612  0.622282  0.491419  1
  H  H124  1  0.743003  0.962766  0.479941  1
  H  H125  1  0.678946  0.288949  0.491419  1
  H  H126  1  0.012279  0.955615  0.491419  1
  H  H127  1  0.611721  0.436715  0.521717  1
  H  H128  1  0.945054  0.103381  0.521717  1
  H  H129  1  0.880979  0.429551  0.533182  1
  H  H130  1  0.278388  0.770048  0.521717  1
  H  H131  1  0.214312  0.096217  0.533182  1
  H  H132  1  0.342450  0.443884  0.510231  1
  H  H133  1  0.547646  0.762884  0.533182  1
  H  H134  1  0.675784  0.110551  0.510231  1
  H  H135  1  0.009117  0.777218  0.510231  1
  H  H136  1  0.614894  0.615116  0.502898  1
  H  H137  1  0.948227  0.281783  0.502898  1
  H  H138  1  0.884172  0.607983  0.514372  1
  H  H139  1  0.281561  0.948450  0.502898  1
  H  H140  1  0.217505  0.274649  0.514372  1
  H  H141  1  0.153437  0.600887  0.525850  1
  H  H142  1  0.550839  0.941316  0.514372  1
  H  H143  1  0.486770  0.267554  0.525850  1
  H  H144  1  0.820104  0.934220  0.525850  1
  H  H145  1  0.419589  0.415367  0.556164  1
  H  H146  1  0.752923  0.082033  0.556164  1
  H  H147  1  0.688828  0.408093  0.567664  1
  H  H148  1  0.086256  0.748700  0.556164  1
  H  H149  1  0.022161  0.074760  0.567664  1
  H  H150  1  0.150287  0.422441  0.544649  1
  H  H151  1  0.355494  0.741426  0.567664  1
  H  H152  1  0.483621  0.089108  0.544649  1
  H  H153  1  0.816954  0.755775  0.544649  1
  H  H154  1  0.422748  0.593720  0.537338  1
  H  H155  1  0.756081  0.260387  0.537338  1
  H  H156  1  0.692046  0.586507  0.548811  1
  H  H157  1  0.089414  0.927054  0.537338  1
  H  H158  1  0.025379  0.253174  0.548811  1
  H  H159  1  0.961269  0.579395  0.560269  1
  H  H160  1  0.358712  0.919841  0.548811  1
  H  H161  1  0.294602  0.246061  0.560269  1
  H  H162  1  0.627935  0.912728  0.560269  1
  H  H163  1  0.227507  0.393876  0.590522  1
  H  H164  1  0.560840  0.060543  0.590522  1
  H  H165  1  0.496995  0.386957  0.602138  1
  H  H166  1  0.894173  0.727209  0.590522  1
  H  H167  1  0.830328  0.053623  0.602138  1
  H  H168  1  0.958049  0.400925  0.579072  1
  H  H169  1  0.163661  0.720290  0.602138  1
  H  H170  1  0.291383  0.067592  0.579072  1
  H  H171  1  0.624716  0.734258  0.579072  1
  H  H172  1  0.230452  0.572416  0.571733  1
  H  H173  1  0.563786  0.239082  0.571733  1
  H  H174  1  0.499906  0.565225  0.583263  1
  H  H175  1  0.897119  0.905749  0.571733  1
  H  H176  1  0.833239  0.231892  0.583263  1
  H  H177  1  0.768956  0.557677  0.594717  1
  H  H178  1  0.166573  0.898559  0.583263  1
  H  H179  1  0.102289  0.224344  0.594717  1
  H  H180  1  0.435623  0.891011  0.594717  1
  H  H181  1  0.036096  0.372692  0.624790  1
  H  H182  1  0.369429  0.039358  0.624790  1
  H  H183  1  0.306875  0.365936  0.636398  1
  H  H184  1  0.702762  0.706025  0.624790  1
  H  H185  1  0.640208  0.032602  0.636398  1
  H  H186  1  0.766198  0.379286  0.613696  1
  H  H187  1  0.973542  0.699269  0.636398  1
  H  H188  1  0.099531  0.045952  0.613696  1
  H  H189  1  0.432864  0.712619  0.613696  1
  H  H190  1  0.037553  0.551042  0.606123  1
  H  H191  1  0.370887  0.217709  0.606123  1
  H  H192  1  0.306388  0.544025  0.617430  1
  H  H193  1  0.704220  0.884375  0.606123  1
  H  H194  1  0.639721  0.210691  0.617430  1
  H  H195  1  0.575796  0.536704  0.629195  1
  H  H196  1  0.973054  0.877358  0.617430  1
  H  H197  1  0.909130  0.203371  0.629195  1
  H  H198  1  0.242463  0.870037  0.629195  1
  H  H199  1  0.849694  0.351291  0.659801  1
  H  H200  1  0.183028  0.017957  0.659801  1
  H  H201  1  0.121916  0.345455  0.669710  1
  H  H202  1  0.516361  0.684624  0.659801  1
  H  H203  1  0.455250  0.012122  0.669710  1
  H  H204  1  0.577510  0.357371  0.648253  1
  H  H205  1  0.788583  0.678789  0.669710  1
  H  H206  1  0.910844  0.024038  0.648253  1
  H  H207  1  0.244177  0.690705  0.648253  1
  H  H208  1  0.843378  0.528435  0.640652  1
  H  H209  1  0.176711  0.195102  0.640652  1
  H  H210  1  0.110025  0.524743  0.652113  1
  H  H211  1  0.510044  0.861769  0.640652  1
  H  H212  1  0.443359  0.191410  0.652113  1
  H  H213  1  0.380146  0.514743  0.663109  1
  H  H214  1  0.776692  0.858077  0.652113  1
  H  H215  1  0.713479  0.181410  0.663109  1
  H  H216  1  0.046813  0.848076  0.663109  1
  H  H217  1  0.684848  0.322200  0.696370  1
  H  H218  1  0.018181  0.988867  0.696370  1
  H  H219  1  0.976509  0.318169  0.707277  1
  H  H220  1  0.351514  0.655533  0.696370  1
  H  H221  1  0.309842  0.984836  0.707277  1
  H  H222  1  0.398746  0.337050  0.684196  1
  H  H223  1  0.643176  0.651502  0.707277  1
  H  H224  1  0.732080  0.003717  0.684196  1
  H  H225  1  0.065413  0.670383  0.684196  1
  H  H226  1  0.645564  0.504784  0.675877  1
  H  H227  1  0.978898  0.171451  0.675877  1
  H  H228  1  0.915870  0.505399  0.688006  1
  H  H229  1  0.312231  0.838117  0.675877  1
  H  H230  1  0.249203  0.172065  0.688006  1
  H  H231  1  0.198285  0.486762  0.698932  1
  H  H232  1  0.582537  0.838732  0.688006  1
  H  H233  1  0.531618  0.153429  0.698932  1
  H  H234  1  0.864952  0.820096  0.698932  1
