# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06933100
_cell_length_b   8.29166320
_cell_length_c   48.30842599
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.31407025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H156
_cell_volume   3176.17647618
_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  0.708994  0.463386  0.281291  1
  H  H2  1  0.982458  0.312302  0.291751  1
  H  H3  1  0.433310  0.411906  0.269546  1
  H  H4  1  0.703642  0.952372  0.280074  1
  H  H5  1  0.982118  0.815281  0.292386  1
  H  H6  1  0.251383  0.864060  0.302535  1
  H  H7  1  0.483107  0.669334  0.290934  1
  H  H8  1  0.947090  0.566195  0.269532  1
  H  H9  1  0.213584  0.618758  0.280648  1
  H  H10  1  0.680887  0.222483  0.259070  1
  H  H11  1  0.949129  0.064631  0.269906  1
  H  H12  1  0.223419  0.115111  0.279625  1
  H  H13  1  0.520444  0.406816  0.314992  1
  H  H14  1  0.791282  0.447838  0.326521  1
  H  H15  1  0.247985  0.360272  0.303471  1
  H  H16  1  0.517942  0.907328  0.314712  1
  H  H17  1  0.789958  0.949168  0.326161  1
  H  H18  1  0.063547  0.799744  0.337524  1
  H  H19  1  0.293926  0.603526  0.325853  1
  H  H20  1  0.751887  0.703478  0.303825  1
  H  H21  1  0.022111  0.557949  0.315598  1
  H  H22  1  0.483651  0.160919  0.292635  1
  H  H23  1  0.751622  0.203161  0.304593  1
  H  H24  1  0.023159  0.059246  0.315675  1
  H  H25  1  0.332999  0.344739  0.348460  1
  H  H26  1  0.601979  0.390138  0.360106  1
  H  H27  1  0.061154  0.300567  0.337771  1
  H  H28  1  0.332417  0.843940  0.348272  1
  H  H29  1  0.601572  0.889609  0.359942  1
  H  H30  1  0.871494  0.934687  0.371319  1
  H  H31  1  0.104752  0.541580  0.360144  1
  H  H32  1  0.561484  0.648364  0.337207  1
  H  H33  1  0.831382  0.692841  0.348951  1
  H  H34  1  0.290519  0.104540  0.326519  1
  H  H35  1  0.560616  0.148839  0.337873  1
  H  H36  1  0.830911  0.192251  0.349241  1
  H  H37  1  0.145129  0.284808  0.382588  1
  H  H38  1  0.414887  0.326741  0.393419  1
  H  H39  1  0.871910  0.435542  0.371452  1
  H  H40  1  0.144884  0.784846  0.382554  1
  H  H41  1  0.414747  0.826644  0.393287  1
  H  H42  1  0.682665  0.870539  0.405273  1
  H  H43  1  0.911943  0.676794  0.393864  1
  H  H44  1  0.374408  0.585348  0.370775  1
  H  H45  1  0.642324  0.630577  0.382544  1
  H  H46  1  0.103505  0.041026  0.360375  1
  H  H47  1  0.374003  0.084621  0.371031  1
  H  H48  1  0.642356  0.130015  0.382774  1
  H  H49  1  0.952236  0.418496  0.416349  1
  H  H50  1  0.226009  0.289621  0.427657  1
  H  H51  1  0.682793  0.370714  0.405360  1
  H  H52  1  0.952067  0.918395  0.416302  1
  H  H53  1  0.226098  0.789388  0.427587  1
  H  H54  1  0.496261  0.807988  0.438819  1
  H  H55  1  0.723417  0.610617  0.427972  1
  H  H56  1  0.185687  0.533497  0.405106  1
  H  H57  1  0.455388  0.568596  0.415990  1
  H  H58  1  0.911988  0.176858  0.393974  1
  H  H59  1  0.185537  0.033316  0.405233  1
  H  H60  1  0.455327  0.068297  0.416087  1
  H  H61  1  0.764322  0.349629  0.450795  1
  H  H62  1  0.032790  0.399835  0.461583  1
  H  H63  1  0.496329  0.307881  0.438906  1
  H  H64  1  0.764318  0.849626  0.450742  1
  H  H65  1  0.032845  0.899800  0.461548  1
  H  H66  1  0.305034  0.821185  0.473195  1
  H  H67  1  0.538231  0.544584  0.461813  1
  H  H68  1  0.992965  0.659880  0.438865  1
  H  H69  1  0.266054  0.552083  0.450315  1
  H  H70  1  0.723509  0.110425  0.428056  1
  H  H71  1  0.992989  0.159858  0.438939  1
  H  H72  1  0.266069  0.052353  0.450427  1
  H  H73  1  0.578601  0.279396  0.485065  1
  H  H74  1  0.847461  0.326767  0.496128  1
  H  H75  1  0.305016  0.321493  0.473265  1
  H  H76  1  0.578619  0.779523  0.484997  1
  H  H77  1  0.847393  0.826898  0.496082  1
  H  H78  1  0.114735  0.871294  0.507727  1
  H  H79  1  0.348010  0.594178  0.496328  1
  H  H80  1  0.805566  0.588905  0.473464  1
  H  H81  1  0.074425  0.636276  0.484527  1
  H  H82  1  0.538292  0.044378  0.461865  1
  H  H83  1  0.805633  0.088774  0.473510  1
  H  H84  1  0.074408  0.136149  0.484595  1
  H  H85  1  0.386972  0.363589  0.519277  1
  H  H86  1  0.660061  0.255792  0.530727  1
  H  H87  1  0.114796  0.371088  0.507779  1
  H  H88  1  0.386957  0.863319  0.519165  1
  H  H89  1  0.660038  0.755814  0.530653  1
  H  H90  1  0.929517  0.805247  0.541536  1
  H  H91  1  0.156697  0.607791  0.530686  1
  H  H92  1  0.620236  0.515837  0.508009  1
  H  H93  1  0.888705  0.566043  0.518798  1
  H  H94  1  0.347992  0.094487  0.496398  1
  H  H95  1  0.620181  0.015872  0.508044  1
  H  H96  1  0.888709  0.066046  0.518850  1
  H  H97  1  0.197638  0.347075  0.553603  1
  H  H98  1  0.467340  0.382175  0.564486  1
  H  H99  1  0.929610  0.305055  0.541620  1
  H  H100  1  0.197699  0.847375  0.553506  1
  H  H101  1  0.467490  0.882356  0.564360  1
  H  H102  1  0.741038  0.738814  0.575618  1
  H  H103  1  0.970233  0.544958  0.564233  1
  H  H104  1  0.427017  0.626051  0.541935  1
  H  H105  1  0.700791  0.497175  0.553243  1
  H  H106  1  0.156765  0.107684  0.530773  1
  H  H107  1  0.426929  0.126284  0.542005  1
  H  H108  1  0.700959  0.997277  0.553290  1
  H  H109  1  0.010702  0.285095  0.587048  1
  H  H110  1  0.278619  0.330324  0.598817  1
  H  H111  1  0.741084  0.238878  0.575728  1
  H  H112  1  0.010671  0.785657  0.586818  1
  H  H113  1  0.279024  0.831051  0.598561  1
  H  H114  1  0.549521  0.874646  0.609218  1
  H  H115  1  0.781116  0.480129  0.598140  1
  H  H116  1  0.238140  0.588931  0.576173  1
  H  H117  1  0.507897  0.630864  0.587004  1
  H  H118  1  0.970362  0.045132  0.564320  1
  H  H119  1  0.238279  0.089028  0.576305  1
  H  H120  1  0.508143  0.130825  0.587039  1
  H  H121  1  0.821645  0.222831  0.620641  1
  H  H122  1  0.091543  0.267308  0.632385  1
  H  H123  1  0.548275  0.374092  0.609448  1
  H  H124  1  0.822116  0.723421  0.620351  1
  H  H125  1  0.092411  0.766833  0.631719  1
  H  H126  1  0.362508  0.811132  0.643073  1
  H  H127  1  0.591873  0.615105  0.631821  1
  H  H128  1  0.051048  0.525534  0.609486  1
  H  H129  1  0.320027  0.570933  0.621132  1
  H  H130  1  0.781532  0.980985  0.598273  1
  H  H131  1  0.051455  0.026063  0.609650  1
  H  H132  1  0.320610  0.071732  0.621320  1
  H  H133  1  0.630915  0.357722  0.653994  1
  H  H134  1  0.901139  0.212194  0.665768  1
  H  H135  1  0.359101  0.312146  0.643740  1
  H  H136  1  0.629867  0.856426  0.653918  1
  H  H137  1  0.901404  0.712511  0.665000  1
  H  H138  1  0.169376  0.754753  0.676958  1
  H  H139  1  0.405042  0.555400  0.666121  1
  H  H140  1  0.861745  0.467833  0.643071  1
  H  H141  1  0.132583  0.508856  0.654600  1
  H  H142  1  0.589480  0.115928  0.632069  1
  H  H143  1  0.863069  0.966504  0.643431  1
  H  H144  1  0.135085  1.008344  0.654880  1
  H  H145  1  0.439443  0.296914  0.688944  1
  H  H146  1  0.705937  0.349477  0.700060  1
  H  H147  1  0.169919  0.246338  0.678658  1
  H  H148  1  0.429607  0.800561  0.689967  1
  H  H149  1  0.703898  0.851041  0.699687  1
  H  H150  1  0.972140  0.693189  0.710522  1
  H  H151  1  0.219717  0.503766  0.700046  1
  H  H152  1  0.670569  0.603370  0.677842  1
  H  H153  1  0.944033  0.452286  0.688301  1
  H  H154  1  0.401643  0.051612  0.667057  1
  H  H155  1  0.670908  0.100391  0.677206  1
  H  H156  1  0.949385  0.963300  0.689518  1
