# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30105327
_cell_length_b   7.89074107
_cell_length_c   48.20016841
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.89687222
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H120
_cell_volume   2393.4489386
_cell_formula_units_Z   60
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  0.762227  0.588869  0.265505  1
  H  H2  1  0.124051  0.569248  0.279312  1
  H  H3  1  0.462899  0.541544  0.295724  1
  H  H4  1  0.404784  0.079451  0.272754  1
  H  H5  1  0.779029  0.054124  0.287298  1
  H  H6  1  0.130180  1.030541  0.302994  1
  H  H7  1  0.640167  0.316759  0.279654  1
  H  H8  1  0.001162  0.297626  0.293395  1
  H  H9  1  0.348639  0.271515  0.309629  1
  H  H10  1  0.558283  0.813703  0.280943  1
  H  H11  1  0.921813  0.790153  0.295964  1
  H  H12  1  0.273738  0.769179  0.311129  1
  H  H13  1  0.816071  0.517379  0.311117  1
  H  H14  1  0.164997  0.493910  0.325664  1
  H  H15  1  0.519400  0.465774  0.340550  1
  H  H16  1  0.489841  1.007319  0.318042  1
  H  H17  1  0.840809  0.979862  0.332817  1
  H  H18  1  0.194218  0.954986  0.347649  1
  H  H19  1  0.704996  0.244628  0.324761  1
  H  H20  1  0.054325  0.218723  0.339390  1
  H  H21  1  0.407213  0.191789  0.354376  1
  H  H22  1  0.629353  0.741590  0.326192  1
  H  H23  1  -0.017397  0.716791  0.341164  1
  H  H24  1  0.337517  0.689511  0.355627  1
  H  H25  1  0.872380  0.439371  0.355660  1
  H  H26  1  0.225857  0.412840  0.370139  1
  H  H27  1  0.579477  0.385699  0.385162  1
  H  H28  1  0.545958  0.928149  0.362453  1
  H  H29  1  0.898195  0.902911  0.377352  1
  H  H30  1  0.251875  0.875777  0.392040  1
  H  H31  1  0.758407  0.164299  0.369530  1
  H  H32  1  0.108943  0.137519  0.384605  1
  H  H33  1  0.455832  0.111339  0.399916  1
  H  H34  1  0.691467  0.662230  0.370346  1
  H  H35  1  0.046433  0.636045  0.385092  1
  H  H36  1  0.404000  0.610434  0.399931  1
  H  H37  1  0.933148  0.358839  0.400334  1
  H  H38  1  0.282115  0.337672  0.415107  1
  H  H39  1  0.624409  0.327055  0.430745  1
  H  H40  1  0.609663  0.847671  0.406591  1
  H  H41  1  0.969343  0.827721  0.421525  1
  H  H42  1  0.331034  0.825524  0.436393  1
  H  H43  1  0.792952  0.091145  0.416124  1
  H  H44  1  0.120775  0.086290  0.432183  1
  H  H45  1  0.446645  0.090853  0.447826  1
  H  H46  1  0.767404  0.586964  0.414984  1
  H  H47  1  0.135897  0.575847  0.430095  1
  H  H48  1  0.506875  0.582659  0.445568  1
  H  H49  1  0.963982  0.336503  0.446650  1
  H  H50  1  0.304952  0.349606  0.461495  1
  H  H51  1  0.646418  0.377409  0.477052  1
  H  H52  1  0.695681  0.845056  0.451533  1
  H  H53  1  0.066429  0.867970  0.466585  1
  H  H54  1  0.434286  0.884619  0.482100  1
  H  H55  1  0.771118  0.114172  0.464487  1
  H  H56  1  0.100945  0.138314  0.480729  1
  H  H57  1  0.441985  0.157588  0.495545  1
  H  H58  1  0.878083  0.606900  0.460684  1
  H  H59  1  0.246609  0.625110  0.475588  1
  H  H60  1  0.619065  0.651254  0.490979  1
  H  H61  1  -0.014123  0.404627  0.492937  1
  H  H62  1  0.326916  0.423901  0.507753  1
  H  H63  1  0.656743  0.448043  0.523995  1
  H  H64  1  0.808796  0.910961  0.497503  1
  H  H65  1  0.181252  0.937106  0.512894  1
  H  H66  1  0.549779  0.955316  0.527798  1
  H  H67  1  0.781443  0.184806  0.511430  1
  H  H68  1  0.122909  0.212610  0.526987  1
  H  H69  1  0.463879  0.225713  0.541832  1
  H  H70  1  -0.006425  0.677597  0.506382  1
  H  H71  1  0.361432  0.694246  0.521897  1
  H  H72  1  0.732180  0.717160  0.536949  1
  H  H73  1  0.981216  0.471363  0.540656  1
  H  H74  1  0.307086  0.475925  0.556299  1
  H  H75  1  0.634910  0.471071  0.572358  1
  H  H76  1  0.920987  0.979557  0.542913  1
  H  H77  1  0.291964  0.986369  0.558387  1
  H  H78  1  0.660457  0.975252  0.573498  1
  H  H79  1  0.803452  0.235160  0.557737  1
  H  H80  1  0.145746  0.224543  0.573375  1
  H  H81  1  0.494713  0.203377  0.588147  1
  H  H82  1  0.096828  0.736692  0.552089  1
  H  H83  1  0.458519  0.734495  0.566957  1
  H  H84  1  0.818198  0.714545  0.581890  1
  H  H85  1  0.972030  0.450876  0.588566  1
  H  H86  1  0.318918  0.424697  0.603877  1
  H  H87  1  0.669454  0.397916  0.618952  1
  H  H88  1  0.023862  0.951782  0.588551  1
  H  H89  1  0.381428  0.926171  0.603390  1
  H  H90  1  0.736395  0.899986  0.618136  1
  H  H91  1  0.848384  0.176516  0.603320  1
  H  H92  1  0.202004  0.149376  0.618343  1
  H  H93  1  0.555481  0.122845  0.632822  1
  H  H94  1  0.175986  0.686439  0.596442  1
  H  H95  1  0.529666  0.659304  0.611130  1
  H  H96  1  0.881903  0.634067  0.626029  1
  H  H97  1  0.020648  0.370427  0.634105  1
  H  H98  1  0.373537  0.343493  0.649091  1
  H  H99  1  0.722865  0.317588  0.663720  1
  H  H100  1  0.090344  0.872705  0.632855  1
  H  H101  1  0.445258  0.845424  0.647317  1
  H  H102  1  0.798509  0.820625  0.662290  1
  H  H103  1  0.908462  0.096441  0.647932  1
  H  H104  1  0.262864  0.068305  0.662818  1
  H  H105  1  0.611790  0.044837  0.677365  1
  H  H106  1  0.233644  0.607230  0.640832  1
  H  H107  1  0.587052  0.582353  0.655665  1
  H  H108  1  0.938020  0.554897  0.670440  1
  H  H109  1  0.079222  0.290701  0.678853  1
  H  H110  1  0.426700  0.264589  0.695087  1
  H  H111  1  0.787694  0.245457  0.708828  1
  H  H112  1  0.154123  0.793037  0.677353  1
  H  H113  1  0.506048  0.772063  0.692518  1
  H  H114  1  0.869579  0.748512  0.707539  1
  H  H115  1  0.964963  1.020672  0.692757  1
  H  H116  1  0.303810  0.992967  0.709170  1
  H  H117  1  0.665634  0.973346  0.722977  1
  H  H118  1  0.297681  0.531674  0.685488  1
  H  H119  1  0.648832  0.508092  0.701183  1
  H  H120  1  0.023077  0.482765  0.715728  1
