# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.90651151
_cell_length_b   10.29824835
_cell_length_c   46.60907937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.32825219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H240
_cell_volume   4662.6208184
_cell_formula_units_Z   120
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  0.022356  0.911543  0.286697  1
  H  H2  1  0.689022  0.911543  0.286697  1
  H  H3  1  0.618742  0.447816  0.276006  1
  H  H4  1  0.355689  0.911543  0.286697  1
  H  H5  1  0.285408  0.447816  0.276006  1
  H  H6  1  0.952075  0.447816  0.276006  1
  H  H7  1  0.200396  0.178448  0.281355  1
  H  H8  1  0.867063  0.178448  0.281355  1
  H  H9  1  0.795916  0.725720  0.270047  1
  H  H10  1  0.533730  0.178448  0.281355  1
  H  H11  1  0.462583  0.725720  0.270047  1
  H  H12  1  0.129250  0.725720  0.270047  1
  H  H13  1  0.820709  0.853679  0.311995  1
  H  H14  1  0.487376  0.853679  0.311995  1
  H  H15  1  0.417826  0.379109  0.299464  1
  H  H16  1  0.154043  0.853679  0.311995  1
  H  H17  1  0.084493  0.379109  0.299464  1
  H  H18  1  0.751159  0.379109  0.299464  1
  H  H19  1  1.000597  0.112988  0.304482  1
  H  H20  1  0.667264  0.112988  0.304482  1
  H  H21  1  0.591824  0.644062  0.293252  1
  H  H22  1  0.333931  0.112988  0.304482  1
  H  H23  1  0.258490  0.644062  0.293252  1
  H  H24  1  0.925157  0.644062  0.293252  1
  H  H25  1  0.624019  0.795774  0.334076  1
  H  H26  1  0.290686  0.795774  0.334076  1
  H  H27  1  0.222200  0.323757  0.322863  1
  H  H28  1  0.957352  0.795774  0.334076  1
  H  H29  1  0.888866  0.323757  0.322863  1
  H  H30  1  0.555533  0.323757  0.322863  1
  H  H31  1  0.807789  0.060440  0.328494  1
  H  H32  1  0.474455  0.060440  0.328494  1
  H  H33  1  0.402488  0.589463  0.317172  1
  H  H34  1  0.141122  0.060440  0.328494  1
  H  H35  1  0.069155  0.589463  0.317172  1
  H  H36  1  0.735822  0.589463  0.317172  1
  H  H37  1  0.428580  0.739731  0.357290  1
  H  H38  1  0.095247  0.739731  0.357290  1
  H  H39  1  0.026448  0.266356  0.345426  1
  H  H40  1  0.761913  0.739731  0.357290  1
  H  H41  1  0.693115  0.266356  0.345426  1
  H  H42  1  0.359781  0.266356  0.345426  1
  H  H43  1  0.614345  0.004411  0.351423  1
  H  H44  1  0.281011  0.004411  0.351423  1
  H  H45  1  0.209140  0.531517  0.339731  1
  H  H46  1  0.947678  0.004411  0.351423  1
  H  H47  1  0.875806  0.531517  0.339731  1
  H  H48  1  0.542473  0.531517  0.339731  1
  H  H49  1  0.233955  0.684221  0.379780  1
  H  H50  1  0.900622  0.684221  0.379780  1
  H  H51  1  0.831915  0.212120  0.368440  1
  H  H52  1  0.567288  0.684221  0.379780  1
  H  H53  1  0.498582  0.212120  0.368440  1
  H  H54  1  0.165248  0.212120  0.368440  1
  H  H55  1  0.419927  0.948259  0.374061  1
  H  H56  1  0.086594  0.948259  0.374061  1
  H  H57  1  0.016393  0.475738  0.362607  1
  H  H58  1  0.753261  0.948259  0.374061  1
  H  H59  1  0.683060  0.475738  0.362607  1
  H  H60  1  0.349727  0.475738  0.362607  1
  H  H61  1  0.039307  0.628434  0.402551  1
  H  H62  1  0.705974  0.628434  0.402551  1
  H  H63  1  0.637029  0.156682  0.391132  1
  H  H64  1  0.372640  0.628434  0.402551  1
  H  H65  1  0.303696  0.156682  0.391132  1
  H  H66  1  0.970362  0.156682  0.391132  1
  H  H67  1  0.225996  0.892792  0.396851  1
  H  H68  1  0.892663  0.892792  0.396851  1
  H  H69  1  0.822774  0.420429  0.385250  1
  H  H70  1  0.559330  0.892792  0.396851  1
  H  H71  1  0.489440  0.420429  0.385250  1
  H  H72  1  0.156107  0.420429  0.385250  1
  H  H73  1  0.844925  0.573018  0.425150  1
  H  H74  1  0.511592  0.573018  0.425150  1
  H  H75  1  0.442335  0.100977  0.413832  1
  H  H76  1  0.178259  0.573018  0.425150  1
  H  H77  1  0.109002  0.100977  0.413832  1
  H  H78  1  0.775669  0.100977  0.413832  1
  H  H79  1  0.031716  0.837030  0.419442  1
  H  H80  1  0.698383  0.837030  0.419442  1
  H  H81  1  0.628846  0.365013  0.408079  1
  H  H82  1  0.365050  0.837030  0.419442  1
  H  H83  1  0.295512  0.365013  0.408079  1
  H  H84  1  0.962179  0.365013  0.408079  1
  H  H85  1  0.650500  0.517495  0.447872  1
  H  H86  1  0.317166  0.517495  0.447872  1
  H  H87  1  0.247781  0.045443  0.436500  1
  H  H88  1  0.983833  0.517495  0.447872  1
  H  H89  1  0.914448  0.045443  0.436500  1
  H  H90  1  0.581114  0.045443  0.436500  1
  H  H91  1  0.837390  0.781464  0.442160  1
  H  H92  1  0.504057  0.781464  0.442160  1
  H  H93  1  0.434635  0.309467  0.430749  1
  H  H94  1  0.170723  0.781464  0.442160  1
  H  H95  1  0.101302  0.309467  0.430749  1
  H  H96  1  0.767968  0.309467  0.430749  1
  H  H97  1  0.456060  0.461930  0.470518  1
  H  H98  1  0.122727  0.461930  0.470518  1
  H  H99  1  0.053269  0.989742  0.459155  1
  H  H100  1  0.789393  0.461930  0.470518  1
  H  H101  1  0.719935  0.989742  0.459155  1
  H  H102  1  0.386602  0.989742  0.459155  1
  H  H103  1  0.642983  0.725870  0.464807  1
  H  H104  1  0.309650  0.725870  0.464807  1
  H  H105  1  0.240229  0.253799  0.453460  1
  H  H106  1  0.976317  0.725870  0.464807  1
  H  H107  1  0.906896  0.253799  0.453460  1
  H  H108  1  0.573563  0.253799  0.453460  1
  H  H109  1  0.261616  0.406332  0.493203  1
  H  H110  1  0.928283  0.406332  0.493203  1
  H  H111  1  0.858835  0.934178  0.481838  1
  H  H112  1  0.594950  0.406332  0.493203  1
  H  H113  1  0.525501  0.934178  0.481838  1
  H  H114  1  0.192168  0.934178  0.481838  1
  H  H115  1  0.448578  0.670309  0.487504  1
  H  H116  1  0.115245  0.670309  0.487504  1
  H  H117  1  0.045820  0.198178  0.476130  1
  H  H118  1  0.781912  0.670309  0.487504  1
  H  H119  1  0.712486  0.198178  0.476130  1
  H  H120  1  0.379153  0.198178  0.476130  1
  H  H121  1  0.067153  0.350693  0.515871  1
  H  H122  1  0.733819  0.350693  0.515871  1
  H  H123  1  0.664394  0.878561  0.504496  1
  H  H124  1  0.400486  0.350693  0.515871  1
  H  H125  1  0.331061  0.878561  0.504496  1
  H  H126  1  0.997727  0.878561  0.504496  1
  H  H127  1  0.254138  0.614693  0.510163  1
  H  H128  1  0.920804  0.614693  0.510163  1
  H  H129  1  0.851356  0.142539  0.498798  1
  H  H130  1  0.587471  0.614693  0.510163  1
  H  H131  1  0.518023  0.142539  0.498798  1
  H  H132  1  0.184689  0.142539  0.498798  1
  H  H133  1  0.872743  0.295072  0.538541  1
  H  H134  1  0.539409  0.295072  0.538541  1
  H  H135  1  0.469989  0.823000  0.527194  1
  H  H136  1  0.206076  0.295072  0.538541  1
  H  H137  1  0.136656  0.823000  0.527194  1
  H  H138  1  0.803322  0.823000  0.527194  1
  H  H139  1  0.059703  0.559128  0.532846  1
  H  H140  1  0.726370  0.559128  0.532846  1
  H  H141  1  0.656912  0.086940  0.521483  1
  H  H142  1  0.393037  0.559128  0.532846  1
  H  H143  1  0.323579  0.086940  0.521483  1
  H  H144  1  0.990246  0.086940  0.521483  1
  H  H145  1  0.678337  0.239404  0.561252  1
  H  H146  1  0.345004  0.239404  0.561252  1
  H  H147  1  0.275582  0.767406  0.549841  1
  H  H148  1  0.011671  0.239404  0.561252  1
  H  H149  1  0.942249  0.767406  0.549841  1
  H  H150  1  0.608916  0.767406  0.549841  1
  H  H151  1  0.865191  0.503428  0.555501  1
  H  H152  1  0.531858  0.503428  0.555501  1
  H  H153  1  0.462473  0.031376  0.544129  1
  H  H154  1  0.198525  0.503428  0.555501  1
  H  H155  1  0.129139  0.031376  0.544129  1
  H  H156  1  0.795806  0.031376  0.544129  1
  H  H157  1  0.484127  0.183858  0.583921  1
  H  H158  1  0.150793  0.183858  0.583921  1
  H  H159  1  0.081256  0.711840  0.572559  1
  H  H160  1  0.817460  0.183858  0.583921  1
  H  H161  1  0.747923  0.711840  0.572559  1
  H  H162  1  0.414589  0.711840  0.572559  1
  H  H163  1  0.670637  0.447894  0.578169  1
  H  H164  1  0.337303  0.447894  0.578169  1
  H  H165  1  0.268047  0.975853  0.566850  1
  H  H166  1  0.003970  0.447894  0.578169  1
  H  H167  1  0.934714  0.975853  0.566850  1
  H  H168  1  0.601380  0.975853  0.566850  1
  H  H169  1  0.290199  0.128442  0.606751  1
  H  H170  1  0.956865  0.128442  0.606751  1
  H  H171  1  0.886976  0.656079  0.595150  1
  H  H172  1  0.623532  0.128442  0.606751  1
  H  H173  1  0.553642  0.656079  0.595150  1
  H  H174  1  0.220309  0.656079  0.595150  1
  H  H175  1  0.475943  0.392189  0.600869  1
  H  H176  1  0.142610  0.392189  0.600869  1
  H  H177  1  0.073665  0.920436  0.589450  1
  H  H178  1  0.809277  0.392189  0.600869  1
  H  H179  1  0.740332  0.920436  0.589450  1
  H  H180  1  0.406999  0.920436  0.589450  1
  H  H181  1  0.096579  0.073132  0.629394  1
  H  H182  1  0.763245  0.073132  0.629394  1
  H  H183  1  0.693045  0.600612  0.617940  1
  H  H184  1  0.429912  0.073132  0.629394  1
  H  H185  1  0.359711  0.600612  0.617940  1
  H  H186  1  0.026378  0.600612  0.617940  1
  H  H187  1  0.281057  0.336751  0.623560  1
  H  H188  1  0.947724  0.336751  0.623560  1
  H  H189  1  0.879017  0.864649  0.612221  1
  H  H190  1  0.614390  0.336751  0.623560  1
  H  H191  1  0.545684  0.864649  0.612221  1
  H  H192  1  0.212351  0.864649  0.612221  1
  H  H193  1  0.903833  0.017354  0.652270  1
  H  H194  1  0.570499  0.017354  0.652270  1
  H  H195  1  0.498627  0.544460  0.640578  1
  H  H196  1  0.237166  0.017354  0.652270  1
  H  H197  1  0.165294  0.544460  0.640578  1
  H  H198  1  0.831961  0.544460  0.640578  1
  H  H199  1  0.086524  0.282515  0.646575  1
  H  H200  1  0.753191  0.282515  0.646575  1
  H  H201  1  0.684392  0.809140  0.634711  1
  H  H202  1  0.419857  0.282515  0.646575  1
  H  H203  1  0.351059  0.809140  0.634711  1
  H  H204  1  0.017726  0.809140  0.634711  1
  H  H205  1  0.710484  0.959408  0.674829  1
  H  H206  1  0.377151  0.959408  0.674829  1
  H  H207  1  0.305184  0.488431  0.663507  1
  H  H208  1  0.043817  0.959408  0.674829  1
  H  H209  1  0.971850  0.488431  0.663507  1
  H  H210  1  0.638517  0.488431  0.663507  1
  H  H211  1  0.890773  0.225113  0.669138  1
  H  H212  1  0.557439  0.225113  0.669138  1
  H  H213  1  0.488953  0.753097  0.657924  1
  H  H214  1  0.224106  0.225113  0.669138  1
  H  H215  1  0.155620  0.753097  0.657924  1
  H  H216  1  0.822286  0.753097  0.657924  1
  H  H217  1  0.521148  0.904809  0.698749  1
  H  H218  1  0.187815  0.904809  0.698749  1
  H  H219  1  0.112375  0.435882  0.687518  1
  H  H220  1  0.854482  0.904809  0.698749  1
  H  H221  1  0.779041  0.435882  0.687518  1
  H  H222  1  0.445708  0.435882  0.687518  1
  H  H223  1  0.695146  0.169762  0.692536  1
  H  H224  1  0.361813  0.169762  0.692536  1
  H  H225  1  0.292263  0.695191  0.680006  1
  H  H226  1  0.028480  0.169762  0.692536  1
  H  H227  1  0.958929  0.695191  0.680006  1
  H  H228  1  0.625596  0.695191  0.680006  1
  H  H229  1  0.317056  0.823151  0.721954  1
  H  H230  1  0.983723  0.823151  0.721954  1
  H  H231  1  0.912576  0.370423  0.710646  1
  H  H232  1  0.650389  0.823151  0.721954  1
  H  H233  1  0.579243  0.370423  0.710646  1
  H  H234  1  0.245909  0.370423  0.710646  1
  H  H235  1  0.494230  0.101054  0.715995  1
  H  H236  1  0.160897  0.101054  0.715995  1
  H  H237  1  0.090617  0.637328  0.705304  1
  H  H238  1  0.827564  0.101054  0.715995  1
  H  H239  1  0.757283  0.637328  0.705304  1
  H  H240  1  0.423950  0.637328  0.705304  1
