# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03752889
_cell_length_b   8.17187204
_cell_length_c   44.94919167
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.73445985
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H117
_cell_volume   2505.3070342
_cell_formula_units_Z   58
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  0.704142  0.239475  0.308713  1
  H  H2  1  0.132991  0.948896  0.301829  1
  H  H3  1  0.043076  0.245746  0.309168  1
  H  H4  1  0.480713  0.479374  0.327373  1
  H  H5  1  0.702628  0.774718  0.332446  1
  H  H6  1  0.592539  0.064387  0.340131  1
  H  H7  1  0.813810  0.481073  0.327610  1
  H  H8  1  0.034106  0.766840  0.333849  1
  H  H9  1  0.152437  0.475205  0.327442  1
  H  H10  1  0.926785  0.065072  0.341474  1
  H  H11  1  0.370336  0.772830  0.333238  1
  H  H12  1  0.265176  0.070288  0.341079  1
  H  H13  1  0.375629  0.300787  0.359637  1
  H  H14  1  0.599518  0.599758  0.367185  1
  H  H15  1  0.490114  0.893102  0.373730  1
  H  H16  1  0.707946  0.301786  0.360303  1
  H  H17  1  0.932224  0.597866  0.367460  1
  H  H18  1  0.039212  0.301788  0.360536  1
  H  H19  1  0.822505  0.892369  0.373713  1
  H  H20  1  0.266139  0.598985  0.367288  1
  H  H21  1  0.156913  0.894139  0.373226  1
  H  H22  1  0.268394  0.126995  0.392352  1
  H  H23  1  0.493284  0.423674  0.398987  1
  H  H24  1  0.384139  0.722256  0.405980  1
  H  H25  1  0.601875  0.126325  0.392076  1
  H  H26  1  0.826333  0.423917  0.399260  1
  H  H27  1  0.935060  0.125993  0.392445  1
  H  H28  1  0.717787  0.721693  0.406223  1
  H  H29  1  0.160792  0.423649  0.399091  1
  H  H30  1  0.051428  0.722537  0.405941  1
  H  H31  1  0.162317  0.953934  0.424765  1
  H  H32  1  0.387481  0.250689  0.431151  1
  H  H33  1  0.278510  0.548423  0.437765  1
  H  H34  1  0.495583  0.954197  0.424845  1
  H  H35  1  0.720224  0.250512  0.431134  1
  H  H36  1  0.828721  0.953940  0.424854  1
  H  H37  1  0.611488  0.548251  0.437794  1
  H  H38  1  0.053854  0.250873  0.431183  1
  H  H39  1  0.945525  0.548412  0.437824  1
  H  H40  1  0.056584  0.780343  0.457167  1
  H  H41  1  0.281093  0.078134  0.463539  1
  H  H42  1  0.172576  0.375408  0.470028  1
  H  H43  1  0.389877  0.780312  0.457167  1
  H  H44  1  0.614468  0.078127  0.463581  1
  H  H45  1  0.723280  0.780278  0.457212  1
  H  H46  1  0.505729  0.375405  0.470003  1
  H  H47  1  0.947824  0.078096  0.463559  1
  H  H48  1  0.839024  0.375415  0.470010  1
  H  H49  1  -0.049282  0.606802  0.489366  1
  H  H50  1  0.175274  0.904991  0.495853  1
  H  H51  1  0.066502  0.202665  0.502315  1
  H  H52  1  0.283991  0.606818  0.489358  1
  H  H53  1  0.508550  0.905006  0.495849  1
  H  H54  1  0.617305  0.606791  0.489351  1
  H  H55  1  0.399827  0.202663  0.502312  1
  H  H56  1  0.841956  0.904999  0.495868  1
  H  H57  1  0.733139  0.202663  0.502317  1
  H  H58  1  0.178135  0.433842  0.521632  1
  H  H59  1  0.069425  0.731624  0.528095  1
  H  H60  1  -0.039368  0.029732  0.534583  1
  H  H61  1  0.511427  0.433855  0.521620  1
  H  H62  1  0.402651  0.731660  0.528092  1
  H  H63  1  0.844757  0.433833  0.521614  1
  H  H64  1  0.293962  0.029700  0.534577  1
  H  H65  1  0.735957  0.731573  0.528074  1
  H  H66  1  0.627218  0.029727  0.534585  1
  H  H67  1  0.072175  0.260999  0.553899  1
  H  H68  1  -0.036573  0.558383  0.560356  1
  H  H69  1  0.854643  0.856385  0.566729  1
  H  H70  1  0.405538  0.261003  0.553920  1
  H  H71  1  0.296855  0.558443  0.560379  1
  H  H72  1  0.738817  0.260980  0.553915  1
  H  H73  1  0.188053  0.856487  0.566827  1
  H  H74  1  0.630065  0.558477  0.560365  1
  H  H75  1  0.521373  0.856434  0.566798  1
  H  H76  1  -0.033566  0.088273  0.586159  1
  H  H77  1  0.857377  0.385710  0.592692  1
  H  H78  1  0.748880  0.682834  0.599061  1
  H  H79  1  0.299407  0.088172  0.586172  1
  H  H80  1  0.190781  0.385362  0.592705  1
  H  H81  1  0.632651  0.088206  0.586189  1
  H  H82  1  0.082383  0.682541  0.599021  1
  H  H83  1  0.524098  0.385790  0.592737  1
  H  H84  1  0.415669  0.682913  0.599118  1
  H  H85  1  0.860296  0.914878  0.617809  1
  H  H86  1  0.751384  0.213337  0.624814  1
  H  H87  1  0.642773  0.510270  0.631642  1
  H  H88  1  0.193891  0.914581  0.618273  1
  H  H89  1  0.084545  0.212645  0.625052  1
  H  H90  1  0.526217  0.915008  0.618132  1
  H  H91  1  -0.024062  0.509079  0.631483  1
  H  H92  1  0.417811  0.212818  0.625006  1
  H  H93  1  0.309491  0.509573  0.631485  1
  H  H94  1  0.754677  0.744085  0.650143  1
  H  H95  1  0.646495  0.038604  0.656710  1
  H  H96  1  0.538519  0.335774  0.663845  1
  H  H97  1  0.086659  0.742121  0.650065  1
  H  H98  1  -0.022554  0.037679  0.656786  1
  H  H99  1  0.421862  0.742772  0.650472  1
  H  H100  1  0.868896  0.335641  0.664097  1
  H  H101  1  0.312263  0.038624  0.657011  1
  H  H102  1  0.203846  0.335462  0.663891  1
  H  H103  1  0.650388  0.572992  0.682967  1
  H  H104  1  0.543617  0.866401  0.690338  1
  H  H105  1  0.433628  0.159285  0.695775  1
  H  H106  1  -0.017715  0.569649  0.682306  1
  H  H107  1  0.872572  0.863321  0.691200  1
  H  H108  1  0.315510  0.567899  0.682254  1
  H  H109  1  0.093794  0.161232  0.696011  1
  H  H110  1  0.206001  0.863324  0.688789  1
  H  H111  1  0.310986  0.991273  0.728365  1
  H  H112  1  0.542732  0.391758  0.715454  1
  H  H113  1  0.441038  0.686099  0.722604  1
  H  H114  1  0.766952  0.154612  0.697213  1
  H  H115  1  0.874251  0.403937  0.716211  1
  H  H116  1  0.100977  0.688986  0.722743  1
  H  H117  1  0.212172  0.391072  0.715931  1
