# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   28.13292891
_cell_length_b   16.02732202
_cell_length_c   46.96766465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.29431150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H576
_cell_volume   19937.2922155
_cell_formula_units_Z   288
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  0.520783  0.589234  0.283261  1
  H  H2  1  0.020783  0.589234  0.283261  1
  H  H3  1  0.159839  0.566143  0.301779  1
  H  H4  1  0.354117  0.255900  0.283261  1
  H  H5  1  0.298895  0.543052  0.320298  1
  H  H6  1  0.493172  0.232810  0.301779  1
  H  H7  1  0.659839  0.566143  0.301779  1
  H  H8  1  0.854117  0.255900  0.283261  1
  H  H9  1  0.798895  0.543052  0.320298  1
  H  H10  1  0.993172  0.232810  0.301779  1
  H  H11  1  0.187450  0.922567  0.283261  1
  H  H12  1  0.132228  0.209719  0.320298  1
  H  H13  1  0.326506  0.899477  0.301779  1
  H  H14  1  0.465562  0.876385  0.320298  1
  H  H15  1  0.687450  0.922567  0.283261  1
  H  H16  1  0.632228  0.209719  0.320298  1
  H  H17  1  0.826506  0.899477  0.301779  1
  H  H18  1  0.965562  0.876385  0.320298  1
  H  H19  1  0.391599  0.360992  0.332644  1
  H  H20  1  0.891599  0.360992  0.332644  1
  H  H21  1  0.113487  0.407174  0.295607  1
  H  H22  1  0.224932  0.027659  0.332644  1
  H  H23  1  0.252543  0.384083  0.314125  1
  H  H24  1  0.446820  0.073840  0.295607  1
  H  H25  1  0.613487  0.407174  0.295607  1
  H  H26  1  0.724932  0.027659  0.332644  1
  H  H27  1  0.752543  0.384083  0.314125  1
  H  H28  1  0.946820  0.073840  0.295607  1
  H  H29  1  0.058265  0.694326  0.332644  1
  H  H30  1  0.085876  0.050750  0.314125  1
  H  H31  1  0.280154  0.740507  0.295607  1
  H  H32  1  0.419210  0.717416  0.314125  1
  H  H33  1  0.558265  0.694326  0.332644  1
  H  H34  1  0.585876  0.050750  0.314125  1
  H  H35  1  0.780154  0.740507  0.295607  1
  H  H36  1  0.919210  0.717416  0.314125  1
  H  H37  1  0.400347  0.315505  0.326776  1
  H  H38  1  0.900347  0.315505  0.326776  1
  H  H39  1  0.122235  0.361687  0.289739  1
  H  H40  1  0.233680  0.982172  0.326776  1
  H  H41  1  0.261291  0.338596  0.308258  1
  H  H42  1  0.455568  0.028353  0.289739  1
  H  H43  1  0.622235  0.361687  0.289739  1
  H  H44  1  0.733680  0.982172  0.326776  1
  H  H45  1  0.761291  0.338596  0.308258  1
  H  H46  1  0.955568  0.028353  0.289739  1
  H  H47  1  0.067013  0.648839  0.326776  1
  H  H48  1  0.094624  0.005263  0.308258  1
  H  H49  1  0.288901  0.695020  0.289739  1
  H  H50  1  0.427957  0.671929  0.308258  1
  H  H51  1  0.567013  0.648839  0.326776  1
  H  H52  1  0.594624  0.005263  0.308258  1
  H  H53  1  0.788901  0.695020  0.289739  1
  H  H54  1  0.927957  0.671929  0.308258  1
  H  H55  1  0.529531  0.543747  0.277394  1
  H  H56  1  0.029531  0.543747  0.277394  1
  H  H57  1  0.168587  0.520656  0.295912  1
  H  H58  1  0.362864  0.210413  0.277394  1
  H  H59  1  0.307643  0.497565  0.314431  1
  H  H60  1  0.501920  0.187323  0.295912  1
  H  H61  1  0.668587  0.520656  0.295912  1
  H  H62  1  0.862864  0.210413  0.277394  1
  H  H63  1  0.807643  0.497565  0.314431  1
  H  H64  1  0.001920  0.187323  0.295912  1
  H  H65  1  0.196197  0.877080  0.277394  1
  H  H66  1  0.140976  0.164232  0.314431  1
  H  H67  1  0.335253  0.853989  0.295912  1
  H  H68  1  0.474309  0.830898  0.314431  1
  H  H69  1  0.696197  0.877080  0.277394  1
  H  H70  1  0.640976  0.164232  0.314431  1
  H  H71  1  0.835253  0.853989  0.295912  1
  H  H72  1  0.974309  0.830898  0.314431  1
  H  H73  1  0.437951  0.519961  0.338817  1
  H  H74  1  0.937951  0.519961  0.338817  1
  H  H75  1  0.077007  0.496871  0.357335  1
  H  H76  1  0.271284  0.186628  0.338817  1
  H  H77  1  0.216063  0.473780  0.375854  1
  H  H78  1  0.410340  0.163537  0.357335  1
  H  H79  1  0.577007  0.496871  0.357335  1
  H  H80  1  0.771284  0.186628  0.338817  1
  H  H81  1  0.716063  0.473780  0.375854  1
  H  H82  1  0.910340  0.163537  0.357335  1
  H  H83  1  0.104618  0.853295  0.338817  1
  H  H84  1  0.049396  0.140447  0.375854  1
  H  H85  1  0.243673  0.830204  0.357335  1
  H  H86  1  0.382729  0.807113  0.375854  1
  H  H87  1  0.604618  0.853295  0.338817  1
  H  H88  1  0.549396  0.140447  0.375854  1
  H  H89  1  0.743673  0.830204  0.357335  1
  H  H90  1  0.882729  0.807113  0.375854  1
  H  H91  1  0.308766  0.291720  0.388199  1
  H  H92  1  0.808766  0.291720  0.388199  1
  H  H93  1  0.030655  0.337902  0.351162  1
  H  H94  1  0.142100  0.958387  0.388199  1
  H  H95  1  0.169711  0.314811  0.369681  1
  H  H96  1  0.363988  0.004568  0.351162  1
  H  H97  1  0.530655  0.337902  0.351162  1
  H  H98  1  0.642100  0.958387  0.388199  1
  H  H99  1  0.669711  0.314811  0.369681  1
  H  H100  1  0.863988  0.004568  0.351162  1
  H  H101  1  0.975433  0.625054  0.388199  1
  H  H102  1  0.003044  0.981478  0.369681  1
  H  H103  1  0.197321  0.671235  0.351162  1
  H  H104  1  0.336377  0.648144  0.369681  1
  H  H105  1  0.475433  0.625054  0.388199  1
  H  H106  1  0.503044  0.981478  0.369681  1
  H  H107  1  0.697321  0.671235  0.351162  1
  H  H108  1  0.836377  0.648144  0.369681  1
  H  H109  1  0.317514  0.246234  0.382332  1
  H  H110  1  0.817514  0.246234  0.382332  1
  H  H111  1  0.039402  0.292415  0.345295  1
  H  H112  1  0.150848  0.912900  0.382332  1
  H  H113  1  0.178458  0.269324  0.363813  1
  H  H114  1  0.372736  0.959082  0.345295  1
  H  H115  1  0.539402  0.292415  0.345295  1
  H  H116  1  0.650848  0.912900  0.382332  1
  H  H117  1  0.678458  0.269324  0.363813  1
  H  H118  1  0.872736  0.959082  0.345295  1
  H  H119  1  0.984181  0.579567  0.382332  1
  H  H120  1  0.011792  0.935991  0.363813  1
  H  H121  1  0.206069  0.625748  0.345295  1
  H  H122  1  0.345125  0.602658  0.363813  1
  H  H123  1  0.484181  0.579567  0.382332  1
  H  H124  1  0.511792  0.935991  0.363813  1
  H  H125  1  0.706069  0.625748  0.345295  1
  H  H126  1  0.845125  0.602658  0.363813  1
  H  H127  1  0.446699  0.474474  0.332949  1
  H  H128  1  0.946699  0.474474  0.332949  1
  H  H129  1  0.085755  0.451384  0.351468  1
  H  H130  1  0.280032  0.141141  0.332949  1
  H  H131  1  0.224810  0.428293  0.369986  1
  H  H132  1  0.419088  0.118051  0.351468  1
  H  H133  1  0.585755  0.451384  0.351468  1
  H  H134  1  0.780032  0.141141  0.332949  1
  H  H135  1  0.724810  0.428293  0.369986  1
  H  H136  1  0.919088  0.118051  0.351468  1
  H  H137  1  0.113365  0.807808  0.332949  1
  H  H138  1  0.058144  0.094960  0.369986  1
  H  H139  1  0.252421  0.784717  0.351468  1
  H  H140  1  0.391477  0.761627  0.369986  1
  H  H141  1  0.613365  0.807808  0.332949  1
  H  H142  1  0.558144  0.094960  0.369986  1
  H  H143  1  0.752421  0.784717  0.351468  1
  H  H144  1  0.891477  0.761627  0.369986  1
  H  H145  1  0.355119  0.450689  0.394372  1
  H  H146  1  0.855119  0.450689  0.394372  1
  H  H147  1  0.994174  0.427599  0.412891  1
  H  H148  1  0.188452  0.117356  0.394372  1
  H  H149  1  0.133230  0.404508  0.431409  1
  H  H150  1  0.327508  0.094265  0.412891  1
  H  H151  1  0.494174  0.427599  0.412891  1
  H  H152  1  0.688452  0.117356  0.394372  1
  H  H153  1  0.633230  0.404508  0.431409  1
  H  H154  1  0.827508  0.094265  0.412891  1
  H  H155  1  0.021785  0.784023  0.394372  1
  H  H156  1  0.966564  0.071175  0.431409  1
  H  H157  1  0.160841  0.760932  0.412891  1
  H  H158  1  0.299897  0.737841  0.431409  1
  H  H159  1  0.521785  0.784023  0.394372  1
  H  H160  1  0.466564  0.071175  0.431409  1
  H  H161  1  0.660841  0.760932  0.412891  1
  H  H162  1  0.799897  0.737841  0.431409  1
  H  H163  1  0.225934  0.222448  0.443755  1
  H  H164  1  0.725934  0.222448  0.443755  1
  H  H165  1  0.947822  0.268630  0.406718  1
  H  H166  1  0.059267  0.889115  0.443755  1
  H  H167  1  0.086878  0.245539  0.425236  1
  H  H168  1  0.281156  0.935296  0.406718  1
  H  H169  1  0.447822  0.268630  0.406718  1
  H  H170  1  0.559267  0.889115  0.443755  1
  H  H171  1  0.586878  0.245539  0.425236  1
  H  H172  1  0.781156  0.935296  0.406718  1
  H  H173  1  0.892601  0.555782  0.443755  1
  H  H174  1  0.920212  0.912206  0.425236  1
  H  H175  1  0.114489  0.601963  0.406718  1
  H  H176  1  0.253545  0.578872  0.425236  1
  H  H177  1  0.392601  0.555782  0.443755  1
  H  H178  1  0.420212  0.912206  0.425236  1
  H  H179  1  0.614489  0.601963  0.406718  1
  H  H180  1  0.753545  0.578872  0.425236  1
  H  H181  1  0.234682  0.176962  0.437887  1
  H  H182  1  0.734682  0.176962  0.437887  1
  H  H183  1  0.956570  0.223143  0.400850  1
  H  H184  1  0.068015  0.843628  0.437887  1
  H  H185  1  0.095626  0.200052  0.419369  1
  H  H186  1  0.289903  0.889810  0.400850  1
  H  H187  1  0.456570  0.223143  0.400850  1
  H  H188  1  0.568015  0.843628  0.437887  1
  H  H189  1  0.595626  0.200052  0.419369  1
  H  H190  1  0.789903  0.889810  0.400850  1
  H  H191  1  0.901349  0.510295  0.437887  1
  H  H192  1  0.928959  0.866719  0.419369  1
  H  H193  1  0.123237  0.556476  0.400850  1
  H  H194  1  0.262293  0.533386  0.419369  1
  H  H195  1  0.401349  0.510295  0.437887  1
  H  H196  1  0.428959  0.866719  0.419369  1
  H  H197  1  0.623237  0.556476  0.400850  1
  H  H198  1  0.762293  0.533386  0.419369  1
  H  H199  1  0.363866  0.405203  0.388505  1
  H  H200  1  0.863866  0.405203  0.388505  1
  H  H201  1  0.002922  0.382112  0.407024  1
  H  H202  1  0.197200  0.071869  0.388505  1
  H  H203  1  0.141978  0.359021  0.425542  1
  H  H204  1  0.336256  0.048779  0.407024  1
  H  H205  1  0.502922  0.382112  0.407024  1
  H  H206  1  0.697200  0.071869  0.388505  1
  H  H207  1  0.641978  0.359021  0.425542  1
  H  H208  1  0.836256  0.048779  0.407024  1
  H  H209  1  0.030533  0.738536  0.388505  1
  H  H210  1  0.975311  0.025688  0.425542  1
  H  H211  1  0.169589  0.715445  0.407024  1
  H  H212  1  0.308645  0.692355  0.425542  1
  H  H213  1  0.530533  0.738536  0.388505  1
  H  H214  1  0.475311  0.025688  0.425542  1
  H  H215  1  0.669589  0.715445  0.407024  1
  H  H216  1  0.808645  0.692355  0.425542  1
  H  H217  1  0.272286  0.381417  0.449928  1
  H  H218  1  0.772286  0.381417  0.449928  1
  H  H219  1  0.911342  0.358327  0.468446  1
  H  H220  1  0.105620  0.048084  0.449928  1
  H  H221  1  0.050398  0.335236  0.486965  1
  H  H222  1  0.244675  0.024993  0.468446  1
  H  H223  1  0.411342  0.358327  0.468446  1
  H  H224  1  0.605620  0.048084  0.449928  1
  H  H225  1  0.550398  0.335236  0.486965  1
  H  H226  1  0.744675  0.024993  0.468446  1
  H  H227  1  0.938953  0.714751  0.449928  1
  H  H228  1  0.883731  0.001903  0.486965  1
  H  H229  1  0.078009  0.691660  0.468446  1
  H  H230  1  0.217065  0.668570  0.486965  1
  H  H231  1  0.438953  0.714751  0.449928  1
  H  H232  1  0.383731  0.001903  0.486965  1
  H  H233  1  0.578009  0.691660  0.468446  1
  H  H234  1  0.717065  0.668570  0.486965  1
  H  H235  1  0.143102  0.153177  0.499310  1
  H  H236  1  0.643102  0.153177  0.499310  1
  H  H237  1  0.864990  0.199358  0.462273  1
  H  H238  1  0.976435  0.819843  0.499310  1
  H  H239  1  0.004046  0.176267  0.480792  1
  H  H240  1  0.198323  0.866024  0.462273  1
  H  H241  1  0.364990  0.199358  0.462273  1
  H  H242  1  0.476435  0.819843  0.499310  1
  H  H243  1  0.504046  0.176267  0.480792  1
  H  H244  1  0.698323  0.866024  0.462273  1
  H  H245  1  0.809768  0.486510  0.499310  1
  H  H246  1  0.837379  0.842934  0.480792  1
  H  H247  1  0.031657  0.532691  0.462273  1
  H  H248  1  0.170713  0.509601  0.480792  1
  H  H249  1  0.309768  0.486510  0.499310  1
  H  H250  1  0.337379  0.842934  0.480792  1
  H  H251  1  0.531657  0.532691  0.462273  1
  H  H252  1  0.670713  0.509601  0.480792  1
  H  H253  1  0.151850  0.107690  0.493443  1
  H  H254  1  0.651850  0.107690  0.493443  1
  H  H255  1  0.873738  0.153871  0.456406  1
  H  H256  1  0.985183  0.774356  0.493443  1
  H  H257  1  0.012794  0.130780  0.474924  1
  H  H258  1  0.207071  0.820538  0.456406  1
  H  H259  1  0.373738  0.153871  0.456406  1
  H  H260  1  0.485183  0.774356  0.493443  1
  H  H261  1  0.512794  0.130780  0.474924  1
  H  H262  1  0.707071  0.820538  0.456406  1
  H  H263  1  0.818516  0.441023  0.493443  1
  H  H264  1  0.846127  0.797447  0.474924  1
  H  H265  1  0.040404  0.487204  0.456406  1
  H  H266  1  0.179460  0.464114  0.474924  1
  H  H267  1  0.318516  0.441023  0.493443  1
  H  H268  1  0.346127  0.797447  0.474924  1
  H  H269  1  0.540404  0.487204  0.456406  1
  H  H270  1  0.679460  0.464114  0.474924  1
  H  H271  1  0.281034  0.335931  0.444061  1
  H  H272  1  0.781034  0.335931  0.444061  1
  H  H273  1  0.920090  0.312840  0.462579  1
  H  H274  1  0.114367  0.002597  0.444061  1
  H  H275  1  0.059146  0.289749  0.481098  1
  H  H276  1  0.253423  0.979507  0.462579  1
  H  H277  1  0.420090  0.312840  0.462579  1
  H  H278  1  0.614367  0.002597  0.444061  1
  H  H279  1  0.559146  0.289749  0.481098  1
  H  H280  1  0.753423  0.979507  0.462579  1
  H  H281  1  0.947701  0.669264  0.444061  1
  H  H282  1  0.892479  0.956416  0.481098  1
  H  H283  1  0.086757  0.646173  0.462579  1
  H  H284  1  0.225812  0.623083  0.481098  1
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  H  H574  1  0.061150  0.679328  0.703320  1
  H  H575  1  0.255427  0.369086  0.684801  1
  H  H576  1  0.394483  0.345995  0.703320  1
