# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.33884367
_cell_length_b   5.82861471
_cell_length_c   44.13686158
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.94710207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3679.53969619
_cell_formula_units_Z   90
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  0.926298  0.135904  0.343996  1
  H  H2  1  0.033409  0.055319  0.305543  1
  H  H3  1  0.349055  0.122919  0.338552  1
  H  H4  1  0.314759  0.770934  0.318430  1
  H  H5  1  0.448241  0.050919  0.299009  1
  H  H6  1  0.608196  0.103743  0.312853  1
  H  H7  1  0.776444  0.134782  0.327431  1
  H  H8  1  0.726419  0.787425  0.312222  1
  H  H9  1  0.888796  0.770466  0.325650  1
  H  H10  1  0.047560  0.791219  0.343254  1
  H  H11  1  0.010324  0.438489  0.325019  1
  H  H12  1  0.286891  0.388026  0.304119  1
  H  H13  1  0.565289  0.719749  0.299004  1
  H  H14  1  0.621072  0.825163  0.351162  1
  H  H15  1  0.589903  0.462889  0.337898  1
  H  H16  1  0.695304  0.415142  0.298447  1
  H  H17  1  0.901494  0.502433  0.364035  1
  H  H18  1  0.443416  0.435989  0.317807  1
  H  H19  1  0.082140  0.155471  0.358334  1
  H  H20  1  0.192987  0.087024  0.320065  1
  H  H21  1  0.391823  0.198575  0.389252  1
  H  H22  1  0.352367  0.842192  0.374619  1
  H  H23  1  0.504178  0.149651  0.351954  1
  H  H24  1  0.663558  0.177772  0.365483  1
  H  H25  1  0.815726  0.203927  0.381246  1
  H  H26  1  0.778897  0.851678  0.364623  1
  H  H27  1  0.932581  0.856968  0.380031  1
  H  H28  1  0.201823  0.820453  0.357930  1
  H  H29  1  0.168275  0.467739  0.340064  1
  H  H30  1  0.324598  0.489612  0.356444  1
  H  H31  1  0.464412  0.790247  0.338729  1
  H  H32  1  0.666121  0.898277  0.402677  1
  H  H33  1  0.632419  0.540014  0.387489  1
  H  H34  1  0.748263  0.495031  0.348722  1
  H  H35  1  0.055423  0.513932  0.379250  1
  H  H36  1  0.475251  0.507678  0.373660  1
  H  H37  1  0.124247  0.230404  0.411119  1
  H  H38  1  0.235503  0.181377  0.373629  1
  H  H39  1  0.435239  0.272386  0.440788  1
  H  H40  1  0.395295  0.916335  0.426058  1
  H  H41  1  0.549875  0.224118  0.403167  1
  H  H42  1  0.703625  0.254923  0.418367  1
  H  H43  1  -0.029829  0.212749  0.395975  1
  H  H44  1  0.820562  0.921235  0.417415  1
  H  H45  1  0.086425  0.874289  0.395148  1
  H  H46  1  0.239510  0.896593  0.410835  1
  H  H47  1  0.209271  0.539347  0.394085  1
  H  H48  1  0.361921  0.558903  0.410233  1
  H  H49  1  0.509247  0.867940  0.389005  1
  H  H50  1  0.707064  0.971778  0.454984  1
  H  H51  1  0.672578  0.614717  0.439292  1
  H  H52  1  0.786982  0.566860  0.401319  1
  H  H53  1  0.095440  0.593435  0.431636  1
  H  H54  1  0.517415  0.584774  0.424977  1
  H  H55  1  0.165737  0.304875  0.463561  1
  H  H56  1  0.278741  0.250082  0.426225  1
  H  H57  1  0.475912  0.347187  0.493281  1
  H  H58  1  0.437807  0.990929  0.477805  1
  H  H59  1  0.589928  0.300487  0.455734  1
  H  H60  1  0.857522  0.276473  0.433305  1
  H  H61  1  0.011567  0.289897  0.448433  1
  H  H62  1  -0.026028  0.934098  0.432620  1
  H  H63  1  0.127379  0.949558  0.447958  1
  H  H64  1  0.281995  0.967888  0.463142  1
  H  H65  1  0.248796  0.611892  0.447083  1
  H  H66  1  0.403433  0.633075  0.462246  1
  H  H67  1  0.551946  0.943613  0.440360  1
  H  H68  1  0.861307  0.994166  0.469930  1
  H  H69  1  0.827238  0.638175  0.453895  1
  H  H70  1  0.941501  0.577655  0.416485  1
  H  H71  1  0.135611  0.667002  0.484292  1
  H  H72  1  0.558073  0.660668  0.476928  1
  H  H73  1  0.207197  0.377455  0.515817  1
  H  H74  1  0.320977  0.323207  0.478288  1
  H  H75  1  0.630465  0.375051  0.508145  1
  H  H76  1  0.478955  0.064859  0.530087  1
  H  H77  1  0.744363  0.328440  0.470690  1
  H  H78  1  0.898399  0.349548  0.485687  1
  H  H79  1  0.052549  0.363895  0.500837  1
  H  H80  1  0.014946  1.009233  0.485100  1
  H  H81  1  0.169092  1.022846  0.500277  1
  H  H82  1  0.324037  0.040398  0.515188  1
  H  H83  1  0.289665  0.684099  0.499378  1
  H  H84  1  0.443944  0.707715  0.514352  1
  H  H85  1  0.592970  1.018309  0.492545  1
  H  H86  1  0.902120  0.067113  0.522357  1
  H  H87  1  0.867507  0.711185  0.506415  1
  H  H88  1  -0.018295  0.653034  0.469019  1
  H  H89  1  0.176167  0.739479  0.536572  1
  H  H90  1  0.712757  0.688380  0.491552  1
  H  H91  1  0.247869  0.449310  0.568231  1
  H  H92  1  0.361830  0.395641  0.530716  1
  H  H93  1  0.670720  0.449181  0.560415  1
  H  H94  1  0.633955  0.091942  0.544785  1
  H  H95  1  0.784885  0.401529  0.522994  1
  H  H96  1  0.939090  0.422421  0.537977  1
  H  H97  1  0.093522  0.436933  0.553062  1
  H  H98  1  0.056433  0.082177  0.537345  1
  H  H99  1  0.210861  0.094664  0.552445  1
  H  H100  1  0.365268  0.112330  0.567563  1
  H  H101  1  0.330229  0.756188  0.551626  1
  H  H102  1  0.598333  0.734922  0.529124  1
  H  H103  1  0.747857  0.044957  0.507341  1
  H  H104  1  -0.056499  0.139364  0.574477  1
  H  H105  1  0.907492  0.783765  0.558793  1
  H  H106  1  0.021972  0.726723  0.521447  1
  H  H107  1  0.216754  0.811002  0.588776  1
  H  H108  1  0.752928  0.761376  0.543927  1
  H  H109  1  0.401926  0.467919  0.583317  1
  H  H110  1  0.516280  0.421233  0.545712  1
  H  H111  1  0.710927  0.523968  0.612364  1
  H  H112  1  0.674212  0.166435  0.597067  1
  H  H113  1  0.825295  0.474690  0.575208  1
  H  H114  1  -0.020119  0.495082  0.590025  1
  H  H115  1  0.134057  0.509646  0.605437  1
  H  H116  1  0.097982  0.155228  0.589463  1
  H  H117  1  0.252047  0.165557  0.604751  1
  H  H118  1  0.519939  0.137963  0.582388  1
  H  H119  1  0.484179  0.780941  0.566571  1
  H  H120  1  0.638346  0.809084  0.581422  1
  H  H121  1  0.788502  0.118123  0.559689  1
  H  H122  1  -0.015068  0.212023  0.626468  1
  H  H123  1  -0.051861  0.855953  0.610984  1
  H  H124  1  0.062358  0.799694  0.573732  1
  H  H125  1  0.370542  0.827771  0.603973  1
  H  H126  1  0.792839  0.835226  0.596352  1
  H  H127  1  0.441160  0.540307  0.635993  1
  H  H128  1  0.556066  0.495148  0.598057  1
  H  H129  1  0.751198  0.600101  0.663770  1
  H  H130  1  0.715680  0.242759  0.648826  1
  H  H131  1  0.866028  0.547592  0.627031  1
  H  H132  1  0.020304  0.565693  0.642269  1
  H  H133  1  0.287663  0.520179  0.620951  1
  H  H134  1  0.139257  0.226680  0.641678  1
  H  H135  1  0.406323  0.183814  0.620059  1
  H  H136  1  0.559965  0.213292  0.634975  1
  H  H137  1  0.524189  0.855503  0.618968  1
  H  H138  1  0.678243  0.885394  0.633782  1
  H  H139  1  0.829782  0.190924  0.611674  1
  H  H140  1  0.026378  0.281361  0.679012  1
  H  H141  1  -0.009655  0.928952  0.662589  1
  H  H142  1  0.103354  0.872211  0.625816  1
  H  H143  1  0.410761  0.898915  0.656463  1
  H  H144  1  0.834016  0.907936  0.648340  1
  H  H145  1  0.482724  0.616589  0.687915  1
  H  H146  1  0.596231  0.571807  0.649907  1
  H  H147  1  0.793437  0.682049  0.713962  1
  H  H148  1  0.759887  0.321739  0.700614  1
  H  H149  1  0.906515  0.616340  0.679000  1
  H  H150  1  0.173420  0.585180  0.657904  1
  H  H151  1  0.326015  0.585067  0.674527  1
  H  H152  1  0.293529  0.235470  0.657103  1
  H  H153  1  0.445556  0.259094  0.673085  1
  H  H154  1  0.602388  0.292400  0.686647  1
  H  H155  1  0.564642  0.932273  0.671571  1
  H  H156  1  0.720862  0.967105  0.685625  1
  H  H157  1  0.871394  0.264915  0.663365  1
  H  H158  1  0.179875  0.303244  0.692704  1
  H  H159  1  0.143584  0.944735  0.678562  1
  H  H160  1  0.257242  0.881557  0.641091  1
  H  H161  1  0.449620  0.977270  0.709240  1
  H  H162  1  0.880397  0.982947  0.699217  1
  H  H163  1  0.528605  0.696422  0.739824  1
  H  H164  1  0.639136  0.648236  0.701392  1
  H  H165  1  0.942530  0.701085  0.733825  1
  H  H166  1  0.809122  0.428242  0.753354  1
  H  H167  1  0.056312  0.645081  0.694244  1
  H  H168  1  0.206151  0.651762  0.713365  1
  H  H169  1  0.366334  0.670325  0.726239  1
  H  H170  1  0.328988  0.298632  0.712522  1
  H  H171  1  0.489400  0.333096  0.725365  1
  H  H172  1  0.689068  0.739141  0.753107  1
  H  H173  1  0.609070  1.013090  0.723138  1
  H  H174  1  0.776107  0.046875  0.738246  1
  H  H175  1  0.916926  0.331285  0.716503  1
  H  H176  1  0.075261  0.382364  0.732286  1
  H  H177  1  0.195316  0.041896  0.731607  1
  H  H178  1  0.296720  0.948470  0.692494  1
  H  H179  1  0.650106  0.367563  0.739202  1
  H  H180  1  0.034966  1.004676  0.717624  1
