# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11472326
_cell_length_b   8.30441529
_cell_length_c   48.23262119
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.31913613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H156
_cell_volume   3193.98913798
_cell_formula_units_Z   78
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  0.659760  0.465230  0.273553  1
  H  H2  1  0.937887  0.450946  0.285498  1
  H  H3  1  0.369948  0.453316  0.263072  1
  H  H4  1  0.647894  0.954703  0.273876  1
  H  H5  1  0.933272  0.948528  0.284937  1
  H  H6  1  0.211111  0.945119  0.295847  1
  H  H7  1  0.429487  0.700011  0.285153  1
  H  H8  1  0.857832  0.710039  0.263807  1
  H  H9  1  0.146420  0.694923  0.274870  1
  H  H10  1  0.590052  0.225137  0.253311  1
  H  H11  1  0.871126  0.212570  0.264213  1
  H  H12  1  0.151216  0.211637  0.274541  1
  H  H13  1  0.480297  0.435927  0.309330  1
  H  H14  1  0.753818  0.429618  0.320915  1
  H  H15  1  0.203939  0.441504  0.299893  1
  H  H16  1  0.478791  0.933934  0.310571  1
  H  H17  1  0.753898  0.932289  0.321133  1
  H  H18  1  0.028540  0.924754  0.332287  1
  H  H19  1  0.245211  0.682451  0.321742  1
  H  H20  1  0.694751  0.693601  0.300761  1
  H  H21  1  0.968866  0.687585  0.311276  1
  H  H22  1  0.419745  0.191808  0.289026  1
  H  H23  1  0.693867  0.193047  0.299900  1
  H  H24  1  0.969525  0.186614  0.310836  1
  H  H25  1  0.299895  0.417584  0.345050  1
  H  H26  1  0.573586  0.409427  0.356171  1
  H  H27  1  0.022769  0.423663  0.333718  1
  H  H28  1  0.297955  0.916753  0.345038  1
  H  H29  1  0.573618  0.908611  0.356547  1
  H  H30  1  0.847668  0.903238  0.367780  1
  H  H31  1  0.064204  0.660254  0.357479  1
  H  H32  1  0.513951  0.671170  0.334655  1
  H  H33  1  0.788947  0.666143  0.346498  1
  H  H34  1  0.239082  0.179577  0.323522  1
  H  H35  1  0.514373  0.172889  0.335021  1
  H  H36  1  0.788893  0.166855  0.346208  1
  H  H37  1  0.119163  0.396003  0.379960  1
  H  H38  1  0.393323  0.389062  0.391485  1
  H  H39  1  0.844589  0.402860  0.368407  1
  H  H40  1  0.118933  0.896341  0.380047  1
  H  H41  1  0.392987  0.889282  0.391723  1
  H  H42  1  0.667159  0.881791  0.403120  1
  H  H43  1  0.882988  0.638850  0.392909  1
  H  H44  1  0.334996  0.653337  0.369680  1
  H  H45  1  0.608339  0.645139  0.381475  1
  H  H46  1  0.060370  0.159196  0.358260  1
  H  H47  1  0.334408  0.152255  0.369968  1
  H  H48  1  0.608643  0.145216  0.381447  1
  H  H49  1  0.939286  0.375327  0.415043  1
  H  H50  1  0.213093  0.368306  0.426652  1
  H  H51  1  0.665606  0.381859  0.403346  1
  H  H52  1  0.939445  0.875090  0.415014  1
  H  H53  1  0.212935  0.868130  0.426784  1
  H  H54  1  0.486768  0.861330  0.438359  1
  H  H55  1  0.702253  0.617854  0.428194  1
  H  H56  1  0.155347  0.631702  0.404744  1
  H  H57  1  0.428366  0.624800  0.416610  1
  H  H58  1  0.881145  0.138597  0.393293  1
  H  H59  1  0.154681  0.131799  0.405030  1
  H  H60  1  0.428469  0.124937  0.416643  1
  H  H61  1  0.759514  0.354324  0.450138  1
  H  H62  1  0.033012  0.347413  0.461811  1
  H  H63  1  0.486094  0.361338  0.438441  1
  H  H64  1  0.759715  0.854273  0.450110  1
  H  H65  1  0.033022  0.847426  0.461855  1
  H  H66  1  0.306610  0.840466  0.473506  1
  H  H67  1  0.521987  0.597102  0.463410  1
  H  H68  1  0.975290  0.611042  0.439953  1
  H  H69  1  0.248426  0.603950  0.451726  1
  H  H70  1  0.701481  0.117633  0.428372  1
  H  H71  1  0.974851  0.110834  0.440087  1
  H  H72  1  0.248382  0.103972  0.451769  1
  H  H73  1  0.579660  0.333591  0.485266  1
  H  H74  1  0.852971  0.326592  0.496985  1
  H  H75  1  0.306223  0.340471  0.473553  1
  H  H76  1  0.579804  0.833525  0.485229  1
  H  H77  1  0.853165  0.826623  0.496940  1
  H  H78  1  0.126586  0.819647  0.508626  1
  H  H79  1  0.341947  0.576222  0.498563  1
  H  H80  1  0.795198  0.590101  0.475131  1
  H  H81  1  0.068509  0.583103  0.486850  1
  H  H82  1  0.521583  0.097047  0.463490  1
  H  H83  1  0.795005  0.090071  0.475176  1
  H  H84  1  0.068365  0.083169  0.486887  1
  H  H85  1  0.399743  0.312743  0.520391  1
  H  H86  1  0.672880  0.305651  0.532163  1
  H  H87  1  0.126183  0.319591  0.508706  1
  H  H88  1  0.399787  0.812721  0.520347  1
  H  H89  1  0.673319  0.805860  0.532029  1
  H  H90  1  0.946688  0.799061  0.543744  1
  H  H91  1  0.162076  0.555356  0.533675  1
  H  H92  1  0.615157  0.569281  0.510305  1
  H  H93  1  0.888656  0.562370  0.521978  1
  H  H94  1  0.341559  0.076227  0.498610  1
  H  H95  1  0.615147  0.069268  0.510261  1
  H  H96  1  0.888454  0.062421  0.522006  1
  H  H97  1  0.219804  0.291894  0.555506  1
  H  H98  1  0.492823  0.284992  0.567372  1
  H  H99  1  0.945917  0.298840  0.543922  1
  H  H100  1  0.219701  0.791757  0.555473  1
  H  H101  1  0.493488  0.784894  0.567086  1
  H  H102  1  0.767024  0.778096  0.578823  1
  H  H103  1  0.982563  0.534835  0.568770  1
  H  H104  1  0.435077  0.548388  0.545464  1
  H  H105  1  0.708884  0.541367  0.557073  1
  H  H106  1  0.161402  0.055364  0.533757  1
  H  H107  1  0.435235  0.048564  0.545332  1
  H  H108  1  0.708724  0.041604  0.557102  1
  H  H109  1  0.039831  0.271554  0.590641  1
  H  H110  1  0.313174  0.263357  0.602436  1
  H  H111  1  0.765181  0.277844  0.579207  1
  H  H112  1  0.039526  0.771477  0.590669  1
  H  H113  1  0.313761  0.764439  0.602148  1
  H  H114  1  0.587799  0.757498  0.613856  1
  H  H115  1  0.803580  0.513834  0.603709  1
  H  H116  1  0.254846  0.527632  0.580631  1
  H  H117  1  0.529006  0.520691  0.592156  1
  H  H118  1  0.981010  0.034903  0.568996  1
  H  H119  1  0.255182  0.027412  0.580393  1
  H  H120  1  0.529237  0.020352  0.592070  1
  H  H121  1  0.859222  0.250550  0.625618  1
  H  H122  1  0.134219  0.245523  0.637461  1
  H  H123  1  0.583966  0.256440  0.614637  1
  H  H124  1  0.859276  0.749838  0.625908  1
  H  H125  1  0.133796  0.743805  0.637095  1
  H  H126  1  0.409088  0.737117  0.648594  1
  H  H127  1  0.625401  0.493031  0.638398  1
  H  H128  1  0.074583  0.507266  0.615945  1
  H  H129  1  0.348274  0.499110  0.627066  1
  H  H130  1  0.800501  1.013456  0.604336  1
  H  H131  1  0.074552  1.008083  0.615569  1
  H  H132  1  0.350214  0.999941  0.627078  1
  H  H133  1  0.679303  0.229108  0.660840  1
  H  H134  1  0.953418  0.223093  0.671355  1
  H  H135  1  0.402958  0.234243  0.650374  1
  H  H136  1  0.678644  0.730080  0.661280  1
  H  H137  1  0.954303  0.723646  0.672217  1
  H  H138  1  0.228424  0.724886  0.683090  1
  H  H139  1  0.444231  0.475190  0.672223  1
  H  H140  1  0.894351  0.487076  0.651201  1
  H  H141  1  0.167872  0.480767  0.662786  1
  H  H142  1  0.619629  0.991940  0.639829  1
  H  H143  1  0.894271  0.984405  0.650983  1
  H  H144  1  0.169378  0.982760  0.661545  1
  H  H145  1  0.501749  0.221771  0.697247  1
  H  H146  1  0.790338  0.206655  0.708309  1
  H  H147  1  0.218682  0.216683  0.686963  1
  H  H148  1  0.496954  0.705056  0.697575  1
  H  H149  1  0.777044  0.704124  0.707903  1
  H  H150  1  0.058117  0.691557  0.718805  1
  H  H151  1  0.278221  0.463378  0.709044  1
  H  H152  1  0.710283  0.465748  0.686618  1
  H  H153  1  0.988410  0.451463  0.698563  1
  H  H154  1  0.437059  0.971574  0.676269  1
  H  H155  1  0.714897  0.968166  0.687179  1
  H  H156  1  1.000275  0.961991  0.698240  1
