# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69602300
_cell_length_b   9.74574241
_cell_length_c   44.04683882
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.01480775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H162
_cell_volume   3285.47803036
_cell_formula_units_Z   81
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  0.243571  0.488724  0.345500  1
  H  H2  1  0.910237  0.155391  0.345500  1
  H  H3  1  0.946457  0.458237  0.361052  1
  H  H4  1  0.652064  0.440667  0.378059  1
  H  H5  1  0.576904  0.822058  0.345500  1
  H  H6  1  0.613124  0.124904  0.361052  1
  H  H7  1  0.318731  0.107334  0.378059  1
  H  H8  1  0.279791  0.791571  0.361052  1
  H  H9  1  -0.014602  0.774001  0.378059  1
  H  H10  1  0.136559  0.283412  0.370293  1
  H  H11  1  0.803226  0.950079  0.370293  1
  H  H12  1  0.832727  0.267283  0.387672  1
  H  H13  1  0.431988  0.308096  0.353088  1
  H  H14  1  0.469892  0.616745  0.370293  1
  H  H15  1  0.499393  0.933950  0.387672  1
  H  H16  1  0.098655  0.974763  0.353088  1
  H  H17  1  0.166060  0.600616  0.387672  1
  H  H18  1  0.765322  0.641430  0.353088  1
  H  H19  1  0.352425  0.425701  0.395617  1
  H  H20  1  0.019092  0.092367  0.395617  1
  H  H21  1  0.055760  0.407114  0.411354  1
  H  H22  1  0.759810  0.391636  0.427973  1
  H  H23  1  0.685758  0.759034  0.395617  1
  H  H24  1  0.722427  0.073781  0.411354  1
  H  H25  1  0.426477  0.058303  0.427973  1
  H  H26  1  0.389093  0.740447  0.411354  1
  H  H27  1  0.093143  0.724970  0.427973  1
  H  H28  1  0.241784  0.232164  0.419556  1
  H  H29  1  0.908450  0.898830  0.419556  1
  H  H30  1  0.946203  0.216675  0.436057  1
  H  H31  1  0.536551  0.249283  0.403356  1
  H  H32  1  0.575117  0.565497  0.419556  1
  H  H33  1  0.612870  0.883342  0.436057  1
  H  H34  1  0.203218  0.915950  0.403356  1
  H  H35  1  0.279537  0.550008  0.436057  1
  H  H36  1  0.869885  0.582616  0.403356  1
  H  H37  1  0.465287  0.374531  0.444061  1
  H  H38  1  0.131954  0.041197  0.444061  1
  H  H39  1  0.170251  0.358032  0.460055  1
  H  H40  1  0.874488  0.341626  0.476528  1
  H  H41  1  0.798621  0.707864  0.444061  1
  H  H42  1  0.836917  1.024699  0.460055  1
  H  H43  1  0.541155  1.008293  0.476528  1
  H  H44  1  0.503584  0.691365  0.460055  1
  H  H45  1  0.207822  0.674959  0.476528  1
  H  H46  1  0.355612  0.183340  0.468376  1
  H  H47  1  0.022279  0.850006  0.468376  1
  H  H48  1  0.060239  0.166616  0.484591  1
  H  H49  1  0.651231  0.199395  0.452000  1
  H  H50  1  0.688945  0.516673  0.468376  1
  H  H51  1  0.726906  0.833283  0.484591  1
  H  H52  1  0.317898  0.866062  0.452000  1
  H  H53  1  0.393573  0.499950  0.484591  1
  H  H54  1  -0.015436  0.532729  0.452000  1
  H  H55  1  0.579142  0.324772  0.492713  1
  H  H56  1  0.245809  0.991439  0.492713  1
  H  H57  1  0.283448  0.308354  0.508979  1
  H  H58  1  -0.012038  0.291580  0.525249  1
  H  H59  1  0.912476  0.658105  0.492713  1
  H  H60  1  0.950115  0.975021  0.508979  1
  H  H61  1  0.654629  0.958246  0.525249  1
  H  H62  1  0.616782  0.641688  0.508979  1
  H  H63  1  0.321296  0.624913  0.525249  1
  H  H64  1  0.469024  0.133322  0.517139  1
  H  H65  1  0.135691  0.799989  0.517139  1
  H  H66  1  0.173602  0.116638  0.533369  1
  H  H67  1  0.764637  0.149744  0.500816  1
  H  H68  1  0.802357  0.466656  0.517139  1
  H  H69  1  0.840269  0.783304  0.533369  1
  H  H70  1  0.431303  0.816411  0.500816  1
  H  H71  1  0.506935  0.449971  0.533369  1
  H  H72  1  0.097970  0.483077  0.500816  1
  H  H73  1  0.692532  0.274966  0.541495  1
  H  H74  1  0.359199  0.941633  0.541495  1
  H  H75  1  0.397037  0.258426  0.557761  1
  H  H76  1  0.101608  0.241765  0.574012  1
  H  H77  1  0.025865  0.608299  0.541495  1
  H  H78  1  0.063704  0.925092  0.557761  1
  H  H79  1  0.768275  0.908432  0.574012  1
  H  H80  1  0.730370  0.591759  0.557761  1
  H  H81  1  0.434941  0.575099  0.574012  1
  H  H82  1  0.582662  0.083378  0.565881  1
  H  H83  1  0.249328  0.750044  0.565881  1
  H  H84  1  0.287167  0.066837  0.582147  1
  H  H85  1  0.878091  0.100038  0.549630  1
  H  H86  1  0.915995  0.416711  0.565881  1
  H  H87  1  0.953833  0.733504  0.582147  1
  H  H88  1  0.544757  0.766705  0.549630  1
  H  H89  1  0.620500  0.400171  0.582147  1
  H  H90  1  0.211424  0.433372  0.549630  1
  H  H91  1  0.806097  0.225166  0.590273  1
  H  H92  1  0.472763  0.891832  0.590273  1
  H  H93  1  0.510674  0.208481  0.606503  1
  H  H94  1  0.215062  0.192060  0.622826  1
  H  H95  1  0.139430  0.558499  0.590273  1
  H  H96  1  0.177341  0.875148  0.606503  1
  H  H97  1  0.881729  0.858726  0.622826  1
  H  H98  1  0.844008  0.541814  0.606503  1
  H  H99  1  0.548395  0.525393  0.622826  1
  H  H100  1  0.696250  0.033449  0.614663  1
  H  H101  1  0.362917  0.700116  0.614663  1
  H  H102  1  0.400556  1.017031  0.630928  1
  H  H103  1  -0.008264  0.050224  0.598393  1
  H  H104  1  0.029584  0.366782  0.614663  1
  H  H105  1  0.067223  0.683698  0.630928  1
  H  H106  1  0.658403  0.716890  0.598393  1
  H  H107  1  0.733890  0.350365  0.630928  1
  H  H108  1  0.325070  0.383557  0.598393  1
  H  H109  1  0.919459  0.175187  0.639051  1
  H  H110  1  0.586126  0.841854  0.639051  1
  H  H111  1  0.624086  0.158464  0.655266  1
  H  H112  1  0.328468  0.142408  0.671642  1
  H  H113  1  0.252792  0.508520  0.639051  1
  H  H114  1  0.290753  0.825131  0.655266  1
  H  H115  1  -0.004866  0.809075  0.671642  1
  H  H116  1  0.957420  0.491797  0.655266  1
  H  H117  1  0.661801  0.475741  0.671642  1
  H  H118  1  0.809448  0.983771  0.663587  1
  H  H119  1  0.476115  0.650438  0.663587  1
  H  H120  1  0.514411  0.967273  0.679581  1
  H  H121  1  0.105210  1.000177  0.647113  1
  H  H122  1  0.142781  0.317105  0.663587  1
  H  H123  1  0.181078  0.633939  0.679581  1
  H  H124  1  0.771877  0.666844  0.647113  1
  H  H125  1  0.847745  0.300606  0.679581  1
  H  H126  1  0.438544  0.333511  0.647113  1
  H  H127  1  0.033495  0.125128  0.687585  1
  H  H128  1  0.700162  0.791795  0.687585  1
  H  H129  1  0.737915  0.109640  0.704086  1
  H  H130  1  0.443147  0.092520  0.720286  1
  H  H131  1  0.366829  0.458462  0.687585  1
  H  H132  1  0.404582  0.776306  0.704086  1
  H  H133  1  0.109814  0.759187  0.720286  1
  H  H134  1  0.071248  0.442973  0.704086  1
  H  H135  1  0.776480  0.425854  0.720286  1
  H  H136  1  0.923939  0.934689  0.712288  1
  H  H137  1  0.590605  0.601356  0.712288  1
  H  H138  1  0.627274  0.916103  0.728025  1
  H  H139  1  0.219888  0.950167  0.695669  1
  H  H140  1  0.257272  0.268023  0.712288  1
  H  H141  1  0.293940  0.582769  0.728025  1
  H  H142  1  0.886555  0.616834  0.695669  1
  H  H143  1  0.960607  0.249436  0.728025  1
  H  H144  1  0.553222  0.283500  0.695669  1
  H  H145  1  0.146972  0.074520  0.735970  1
  H  H146  1  0.813639  0.741187  0.735970  1
  H  H147  1  0.843140  0.058391  0.753349  1
  H  H148  1  0.547710  0.033707  0.770554  1
  H  H149  1  0.480305  0.407854  0.735970  1
  H  H150  1  0.509806  0.725058  0.753349  1
  H  H151  1  0.214377  0.700374  0.770554  1
  H  H152  1  0.176473  0.391725  0.753349  1
  H  H153  1  0.881044  0.367040  0.770554  1
  H  H154  1  0.033241  0.883566  0.762589  1
  H  H155  1  0.699908  0.550233  0.762589  1
  H  H156  1  0.736128  0.853079  0.778142  1
  H  H157  1  0.327634  0.901136  0.745582  1
  H  H158  1  0.366575  0.216899  0.762589  1
  H  H159  1  0.402795  0.519746  0.778142  1
  H  H160  1  -0.005699  0.567803  0.745582  1
  H  H161  1  0.069461  0.186412  0.778142  1
  H  H162  1  0.660968  0.234470  0.745582  1
