# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27701409
_cell_length_b   23.75282708
_cell_length_c   48.62951436
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.63990291
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H132
_cell_volume   2627.36138111
_cell_formula_units_Z   66
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  0.409195  0.316109  0.297552  1
  H  H2  1  0.580034  0.656910  0.278527  1
  H  H3  1  0.249852  0.997005  0.267728  1
  H  H4  1  0.829290  0.157480  0.274820  1
  H  H5  1  0.499239  0.497069  0.264300  1
  H  H6  1  0.660649  0.818508  0.293899  1
  H  H7  1  0.784939  0.068429  0.292219  1
  H  H8  1  0.453827  0.405437  0.280259  1
  H  H9  1  0.625686  0.748509  0.262404  1
  H  H10  1  0.373406  0.245662  0.265823  1
  H  H11  1  0.535295  0.567807  0.296072  1
  H  H12  1  0.203718  0.905041  0.283971  1
  H  H13  1  0.900364  0.298683  0.339173  1
  H  H14  1  0.071914  0.640752  0.320704  1
  H  H15  1  0.740495  0.978433  0.309450  1
  H  H16  1  0.321560  0.141453  0.316696  1
  H  H17  1  0.990449  0.479018  0.305787  1
  H  H18  1  0.152077  0.801215  0.335453  1
  H  H19  1  0.276343  0.050930  0.333593  1
  H  H20  1  0.945688  0.389139  0.322374  1
  H  H21  1  0.116664  0.730478  0.303951  1
  H  H22  1  0.864911  0.228049  0.307582  1
  H  H23  1  0.026551  0.550262  0.337634  1
  H  H24  1  0.695791  0.888565  0.326217  1
  H  H25  1  0.391856  0.281566  0.380736  1
  H  H26  1  0.563183  0.623226  0.361938  1
  H  H27  1  0.232167  0.961445  0.350567  1
  H  H28  1  0.812942  0.124065  0.357845  1
  H  H29  1  0.482166  0.462175  0.346722  1
  H  H30  1  0.643488  0.783850  0.376906  1
  H  H31  1  0.767873  0.033726  0.374993  1
  H  H32  1  0.436994  0.371689  0.363618  1
  H  H33  1  0.608390  0.713706  0.344938  1
  H  H34  1  0.356680  0.211447  0.348726  1
  H  H35  1  0.517948  0.532923  0.379073  1
  H  H36  1  0.187122  0.871098  0.367633  1
  H  H37  1  0.883274  0.264282  0.422179  1
  H  H38  1  0.054602  0.606002  0.403317  1
  H  H39  1  0.723635  0.944171  0.391903  1
  H  H40  1  0.304441  0.106872  0.399209  1
  H  H41  1  0.973602  0.444898  0.387948  1
  H  H42  1  0.134904  0.766492  0.418313  1
  H  H43  1  0.259343  1.016479  0.416402  1
  H  H44  1  0.928470  0.354589  0.405038  1
  H  H45  1  0.099790  0.696368  0.386190  1
  H  H46  1  0.848118  0.194191  0.390043  1
  H  H47  1  1.009379  0.515625  0.420464  1
  H  H48  1  0.678574  0.853830  0.409093  1
  H  H49  1  0.374711  0.247029  0.463579  1
  H  H50  1  0.546033  0.588747  0.444690  1
  H  H51  1  0.215110  0.926935  0.433293  1
  H  H52  1  0.795909  0.089629  0.440590  1
  H  H53  1  0.465087  0.427723  0.429295  1
  H  H54  1  0.626345  0.749203  0.459704  1
  H  H55  1  0.750808  0.999229  0.457801  1
  H  H56  1  0.419910  0.337366  0.446427  1
  H  H57  1  0.591235  0.679117  0.427541  1
  H  H58  1  0.339580  0.176949  0.431410  1
  H  H59  1  0.500835  0.498384  0.461844  1
  H  H60  1  0.170011  0.836534  0.450501  1
  H  H61  1  0.866153  0.229777  0.504961  1
  H  H62  1  0.037476  0.571506  0.486066  1
  H  H63  1  0.706565  0.909669  0.474681  1
  H  H64  1  0.287367  0.072373  0.481977  1
  H  H65  1  0.956542  0.410492  0.470656  1
  H  H66  1  0.117793  0.731938  0.501086  1
  H  H67  1  0.242263  0.981966  0.499191  1
  H  H68  1  0.911352  0.320130  0.487806  1
  H  H69  1  0.082675  0.661858  0.468910  1
  H  H70  1  0.831035  0.159698  0.472786  1
  H  H71  1  0.992286  0.481143  0.503215  1
  H  H72  1  0.661461  0.819263  0.491895  1
  H  H73  1  0.357593  0.212519  0.546330  1
  H  H74  1  0.528918  0.554269  0.527445  1
  H  H75  1  0.198020  0.892406  0.516071  1
  H  H76  1  0.778817  0.055102  0.523370  1
  H  H77  1  0.447993  0.393252  0.512027  1
  H  H78  1  0.609248  0.714687  0.542462  1
  H  H79  1  0.733718  0.964700  0.540578  1
  H  H80  1  0.402795  0.302888  0.529182  1
  H  H81  1  0.574118  0.644606  0.510293  1
  H  H82  1  0.322483  0.142433  0.514168  1
  H  H83  1  0.483741  0.463913  0.544577  1
  H  H84  1  0.152919  0.802007  0.533281  1
  H  H85  1  0.849038  0.195268  0.587681  1
  H  H86  1  0.020358  0.537047  0.568833  1
  H  H87  1  0.689485  0.875156  0.557470  1
  H  H88  1  0.270254  0.037806  0.564779  1
  H  H89  1  0.939449  0.376010  0.553408  1
  H  H90  1  0.100710  0.697444  0.583828  1
  H  H91  1  0.225193  0.947465  0.581969  1
  H  H92  1  0.894226  0.285633  0.570555  1
  H  H93  1  0.065554  0.627353  0.551693  1
  H  H94  1  0.813925  0.125144  0.555559  1
  H  H95  1  0.975226  0.446737  0.585924  1
  H  H96  1  0.644387  0.784764  0.574662  1
  H  H97  1  0.340439  0.177930  0.628933  1
  H  H98  1  0.511834  0.519946  0.610254  1
  H  H99  1  0.180955  0.857909  0.598879  1
  H  H100  1  0.761706  1.020538  0.606239  1
  H  H101  1  0.430880  0.358713  0.594798  1
  H  H102  1  0.592149  0.680189  0.625146  1
  H  H103  1  0.716661  0.930190  0.623305  1
  H  H104  1  0.385645  0.268410  0.611934  1
  H  H105  1  0.556972  0.610069  0.593135  1
  H  H106  1  0.305340  0.107785  0.596966  1
  H  H107  1  0.466663  0.429460  0.627150  1
  H  H108  1  0.135886  0.767571  0.616026  1
  H  H109  1  0.832164  0.161157  0.669921  1
  H  H110  1  1.003140  0.502496  0.651498  1
  H  H111  1  0.672485  0.840705  0.640279  1
  H  H112  1  0.253037  1.003070  0.647655  1
  H  H113  1  0.922277  0.341373  0.636237  1
  H  H114  1  0.083917  0.663587  0.666289  1
  H  H115  1  0.208333  0.913203  0.664421  1
  H  H116  1  0.876914  0.250883  0.653168  1
  H  H117  1  0.048464  0.592953  0.634698  1
  H  H118  1  0.796751  0.090420  0.638418  1
  H  H119  1  0.958379  0.412617  0.668084  1
  H  H120  1  0.627268  0.750182  0.657175  1
  H  H121  1  0.323142  0.143126  0.711468  1
  H  H122  1  0.495001  0.486198  0.693613  1
  H  H123  1  0.163889  0.823206  0.681652  1
  H  H124  1  0.745110  0.986595  0.689901  1
  H  H125  1  0.413533  0.323829  0.677800  1
  H  H126  1  0.575422  0.645974  0.708048  1
  H  H127  1  0.698976  0.894631  0.706143  1
  H  H128  1  0.368795  0.234725  0.695345  1
  H  H129  1  0.539633  0.575527  0.676319  1
  H  H130  1  0.288180  0.073128  0.679972  1
  H  H131  1  0.449589  0.394567  0.709572  1
  H  H132  1  0.119538  0.734155  0.699052  1
