# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   33.00081282
_cell_length_b   16.43804528
_cell_length_c   49.71489779
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.11376264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H1008
_cell_volume   24845.7699727
_cell_formula_units_Z   504
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  0.817926  0.127590  0.285211  1
  H  H2  1  0.484593  0.127590  0.285211  1
  H  H3  1  0.642919  0.003975  0.307434  1
  H  H4  1  0.801246  0.880361  0.329656  1
  H  H5  1  0.151259  0.127590  0.285211  1
  H  H6  1  0.309586  0.003975  0.307434  1
  H  H7  1  0.467913  0.880361  0.329656  1
  H  H8  1  0.651259  0.627590  0.285211  1
  H  H9  1  0.809586  0.503975  0.307434  1
  H  H10  1  0.976253  0.003975  0.307434  1
  H  H11  1  0.134579  0.880361  0.329656  1
  H  H12  1  0.317926  0.627590  0.285211  1
  H  H13  1  0.476253  0.503975  0.307434  1
  H  H14  1  0.634579  0.380361  0.329656  1
  H  H15  1  0.984593  0.627590  0.285211  1
  H  H16  1  0.142919  0.503975  0.307434  1
  H  H17  1  0.301246  0.380361  0.329656  1
  H  H18  1  0.967913  0.380361  0.329656  1
  H  H19  1  0.722662  0.272513  0.317002  1
  H  H20  1  0.389328  0.272513  0.317002  1
  H  H21  1  0.572675  0.019741  0.272558  1
  H  H22  1  0.731002  0.896127  0.294780  1
  H  H23  1  0.055995  0.272513  0.317002  1
  H  H24  1  0.239342  0.019741  0.272558  1
  H  H25  1  0.397668  0.896127  0.294780  1
  H  H26  1  0.555995  0.772513  0.317002  1
  H  H27  1  0.739342  0.519741  0.272558  1
  H  H28  1  0.906008  0.019741  0.272558  1
  H  H29  1  0.064335  0.896127  0.294780  1
  H  H30  1  0.222662  0.772513  0.317002  1
  H  H31  1  0.406008  0.519741  0.272558  1
  H  H32  1  0.564335  0.396127  0.294780  1
  H  H33  1  0.889328  0.772513  0.317002  1
  H  H34  1  0.072675  0.519741  0.272558  1
  H  H35  1  0.231002  0.396127  0.294780  1
  H  H36  1  0.897668  0.396127  0.294780  1
  H  H37  1  0.868812  0.142671  0.327443  1
  H  H38  1  0.535479  0.142671  0.327443  1
  H  H39  1  0.718825  0.889900  0.282998  1
  H  H40  1  0.877152  0.766286  0.305221  1
  H  H41  1  0.202145  0.142671  0.327443  1
  H  H42  1  0.385492  0.889900  0.282998  1
  H  H43  1  0.543819  0.766286  0.305221  1
  H  H44  1  0.702145  0.642671  0.327443  1
  H  H45  1  0.885492  0.389900  0.282998  1
  H  H46  1  0.052159  0.889900  0.282998  1
  H  H47  1  0.210485  0.766286  0.305221  1
  H  H48  1  0.368812  0.642671  0.327443  1
  H  H49  1  0.552159  0.389900  0.282998  1
  H  H50  1  0.710485  0.266286  0.305221  1
  H  H51  1  0.035479  0.642671  0.327443  1
  H  H52  1  0.218825  0.389900  0.282998  1
  H  H53  1  0.377152  0.266286  0.305221  1
  H  H54  1  0.043819  0.266286  0.305221  1
  H  H55  1  0.798568  0.158438  0.292567  1
  H  H56  1  0.465234  0.158438  0.292567  1
  H  H57  1  0.623561  0.034823  0.314789  1
  H  H58  1  0.806907  0.782052  0.270345  1
  H  H59  1  0.131901  0.158438  0.292567  1
  H  H60  1  0.290228  0.034823  0.314789  1
  H  H61  1  0.473574  0.782052  0.270345  1
  H  H62  1  0.631901  0.658438  0.292567  1
  H  H63  1  0.790228  0.534823  0.314789  1
  H  H64  1  0.956894  0.034823  0.314789  1
  H  H65  1  0.140241  0.782052  0.270345  1
  H  H66  1  0.298568  0.658438  0.292567  1
  H  H67  1  0.456894  0.534823  0.314789  1
  H  H68  1  0.640241  0.282052  0.270345  1
  H  H69  1  0.965234  0.658438  0.292567  1
  H  H70  1  0.123561  0.534823  0.314789  1
  H  H71  1  0.306907  0.282052  0.270345  1
  H  H72  1  0.973574  0.282052  0.270345  1
  H  H73  1  0.722083  0.442168  0.318545  1
  H  H74  1  0.388749  0.442168  0.318545  1
  H  H75  1  0.572096  0.189397  0.274100  1
  H  H76  1  0.730423  0.065782  0.296322  1
  H  H77  1  0.055416  0.442168  0.318545  1
  H  H78  1  0.238763  0.189397  0.274100  1
  H  H79  1  0.397089  0.065782  0.296322  1
  H  H80  1  0.555416  0.942168  0.318545  1
  H  H81  1  0.738763  0.689397  0.274100  1
  H  H82  1  0.905429  0.189397  0.274100  1
  H  H83  1  0.063756  0.065782  0.296322  1
  H  H84  1  0.222083  0.942168  0.318545  1
  H  H85  1  0.405429  0.689397  0.274100  1
  H  H86  1  0.563756  0.565782  0.296322  1
  H  H87  1  0.888749  0.942168  0.318545  1
  H  H88  1  0.072096  0.689397  0.274100  1
  H  H89  1  0.230423  0.565782  0.296322  1
  H  H90  1  0.897089  0.565782  0.296322  1
  H  H91  1  0.810165  0.334320  0.305891  1
  H  H92  1  0.476832  0.334320  0.305891  1
  H  H93  1  0.635158  0.210706  0.328113  1
  H  H94  1  0.818505  0.957934  0.283669  1
  H  H95  1  0.143498  0.334320  0.305891  1
  H  H96  1  0.301825  0.210706  0.328113  1
  H  H97  1  0.485172  0.957934  0.283669  1
  H  H98  1  0.643498  0.834320  0.305891  1
  H  H99  1  0.801825  0.710706  0.328113  1
  H  H100  1  0.968492  0.210706  0.328113  1
  H  H101  1  0.151838  0.957934  0.283669  1
  H  H102  1  0.310165  0.834320  0.305891  1
  H  H103  1  0.468492  0.710706  0.328113  1
  H  H104  1  0.651838  0.457934  0.283669  1
  H  H105  1  0.976832  0.834320  0.305891  1
  H  H106  1  0.135158  0.710706  0.328113  1
  H  H107  1  0.318505  0.457934  0.283669  1
  H  H108  1  0.985172  0.457934  0.283669  1
  H  H109  1  0.797989  0.328093  0.294109  1
  H  H110  1  0.464655  0.328093  0.294109  1
  H  H111  1  0.622982  0.204479  0.316332  1
  H  H112  1  0.806329  0.951707  0.271887  1
  H  H113  1  0.131322  0.328093  0.294109  1
  H  H114  1  0.289649  0.204479  0.316332  1
  H  H115  1  0.472995  0.951707  0.271887  1
  H  H116  1  0.631322  0.828093  0.294109  1
  H  H117  1  0.789649  0.704479  0.316332  1
  H  H118  1  0.956315  0.204479  0.316332  1
  H  H119  1  0.139662  0.951707  0.271887  1
  H  H120  1  0.297989  0.828093  0.294109  1
  H  H121  1  0.456315  0.704479  0.316332  1
  H  H122  1  0.639662  0.451707  0.271887  1
  H  H123  1  0.964655  0.828093  0.294109  1
  H  H124  1  0.122982  0.704479  0.316332  1
  H  H125  1  0.306329  0.451707  0.271887  1
  H  H126  1  0.972995  0.451707  0.271887  1
  H  H127  1  0.886071  0.220245  0.281456  1
  H  H128  1  0.552738  0.220245  0.281456  1
  H  H129  1  0.711064  0.096630  0.303678  1
  H  H130  1  0.869391  0.973016  0.325900  1
  H  H131  1  0.219404  0.220245  0.281456  1
  H  H132  1  0.377731  0.096630  0.303678  1
  H  H133  1  0.536058  0.973016  0.325900  1
  H  H134  1  0.719404  0.720245  0.281456  1
  H  H135  1  0.877731  0.596630  0.303678  1
  H  H136  1  0.044398  0.096630  0.303678  1
  H  H137  1  0.202724  0.973016  0.325900  1
  H  H138  1  0.386071  0.720245  0.281456  1
  H  H139  1  0.544398  0.596630  0.303678  1
  H  H140  1  0.702724  0.473016  0.325900  1
  H  H141  1  0.052738  0.720245  0.281456  1
  H  H142  1  0.211064  0.596630  0.303678  1
  H  H143  1  0.369391  0.473016  0.325900  1
  H  H144  1  0.036058  0.473016  0.325900  1
  H  H145  1  0.792906  0.256747  0.351878  1
  H  H146  1  0.459573  0.256747  0.351878  1
  H  H147  1  0.617899  0.133132  0.374100  1
  H  H148  1  0.776226  0.009518  0.396322  1
  H  H149  1  0.126239  0.256747  0.351878  1
  H  H150  1  0.284566  0.133132  0.374100  1
  H  H151  1  0.442893  0.009518  0.396322  1
  H  H152  1  0.626239  0.756747  0.351878  1
  H  H153  1  0.784566  0.633132  0.374100  1
  H  H154  1  0.951233  0.133132  0.374100  1
  H  H155  1  0.109560  0.009518  0.396322  1
  H  H156  1  0.292906  0.756747  0.351878  1
  H  H157  1  0.451233  0.633132  0.374100  1
  H  H158  1  0.609560  0.509518  0.396322  1
  H  H159  1  0.959573  0.756747  0.351878  1
  H  H160  1  0.117899  0.633132  0.374100  1
  H  H161  1  0.276226  0.509518  0.396322  1
  H  H162  1  0.942893  0.509518  0.396322  1
  H  H163  1  0.697642  0.401670  0.383669  1
  H  H164  1  0.364308  0.401670  0.383669  1
  H  H165  1  0.547655  0.148898  0.339224  1
  H  H166  1  0.705982  0.025284  0.361446  1
  H  H167  1  0.030975  0.401670  0.383669  1
  H  H168  1  0.214322  0.148898  0.339224  1
  H  H169  1  0.372648  0.025284  0.361446  1
  H  H170  1  0.530975  0.901670  0.383669  1
  H  H171  1  0.714322  0.648898  0.339224  1
  H  H172  1  0.880988  0.148898  0.339224  1
  H  H173  1  0.039315  0.025284  0.361446  1
  H  H174  1  0.197642  0.901670  0.383669  1
  H  H175  1  0.380988  0.648898  0.339224  1
  H  H176  1  0.539315  0.525284  0.361446  1
  H  H177  1  0.864308  0.901670  0.383669  1
  H  H178  1  0.047655  0.648898  0.339224  1
  H  H179  1  0.205982  0.525284  0.361446  1
  H  H180  1  0.872648  0.525284  0.361446  1
  H  H181  1  0.843792  0.271828  0.394109  1
  H  H182  1  0.510459  0.271828  0.394109  1
  H  H183  1  0.693805  0.019057  0.349665  1
  H  H184  1  0.852132  0.895443  0.371887  1
  H  H185  1  0.177125  0.271828  0.394109  1
  H  H186  1  0.360472  0.019057  0.349665  1
  H  H187  1  0.518799  0.895443  0.371887  1
  H  H188  1  0.677125  0.771828  0.394109  1
  H  H189  1  0.860472  0.519057  0.349665  1
  H  H190  1  0.027139  0.019057  0.349665  1
  H  H191  1  0.185465  0.895443  0.371887  1
  H  H192  1  0.343792  0.771828  0.394109  1
  H  H193  1  0.527139  0.519057  0.349665  1
  H  H194  1  0.685465  0.395443  0.371887  1
  H  H195  1  0.010459  0.771828  0.394109  1
  H  H196  1  0.193805  0.519057  0.349665  1
  H  H197  1  0.352132  0.395443  0.371887  1
  H  H198  1  0.018799  0.395443  0.371887  1
  H  H199  1  0.773548  0.287594  0.359233  1
  H  H200  1  0.440214  0.287594  0.359233  1
  H  H201  1  0.598541  0.163980  0.381456  1
  H  H202  1  0.781888  0.911209  0.337011  1
  H  H203  1  0.106881  0.287594  0.359233  1
  H  H204  1  0.265208  0.163980  0.381456  1
  H  H205  1  0.448554  0.911209  0.337011  1
  H  H206  1  0.606881  0.787594  0.359233  1
  H  H207  1  0.765208  0.663980  0.381456  1
  H  H208  1  0.931874  0.163980  0.381456  1
  H  H209  1  0.115221  0.911209  0.337011  1
  H  H210  1  0.273548  0.787594  0.359233  1
  H  H211  1  0.431874  0.663980  0.381456  1
  H  H212  1  0.615221  0.411209  0.337011  1
  H  H213  1  0.940214  0.787594  0.359233  1
  H  H214  1  0.098541  0.663980  0.381456  1
  H  H215  1  0.281888  0.411209  0.337011  1
  H  H216  1  0.948554  0.411209  0.337011  1
  H  H217  1  0.697063  0.571325  0.385211  1
  H  H218  1  0.363729  0.571325  0.385211  1
  H  H219  1  0.547076  0.318554  0.340767  1
  H  H220  1  0.705403  0.194939  0.362989  1
  H  H221  1  0.030396  0.571325  0.385211  1
  H  H222  1  0.213743  0.318554  0.340767  1
  H  H223  1  0.372069  0.194939  0.362989  1
  H  H224  1  0.530396  0.071325  0.385211  1
  H  H225  1  0.713743  0.818554  0.340767  1
  H  H226  1  0.880409  0.318554  0.340767  1
  H  H227  1  0.038736  0.194939  0.362989  1
  H  H228  1  0.197063  0.071325  0.385211  1
  H  H229  1  0.380409  0.818554  0.340767  1
  H  H230  1  0.538736  0.694939  0.362989  1
  H  H231  1  0.863729  0.071325  0.385211  1
  H  H232  1  0.047076  0.818554  0.340767  1
  H  H233  1  0.205403  0.694939  0.362989  1
  H  H234  1  0.872069  0.694939  0.362989  1
  H  H235  1  0.785145  0.463477  0.372558  1
  H  H236  1  0.451812  0.463477  0.372558  1
  H  H237  1  0.610138  0.339862  0.394780  1
  H  H238  1  0.793485  0.087091  0.350335  1
  H  H239  1  0.118478  0.463477  0.372558  1
  H  H240  1  0.276805  0.339862  0.394780  1
  H  H241  1  0.460152  0.087091  0.350335  1
  H  H242  1  0.618478  0.963477  0.372558  1
  H  H243  1  0.776805  0.839862  0.394780  1
  H  H244  1  0.943472  0.339862  0.394780  1
  H  H245  1  0.126818  0.087091  0.350335  1
  H  H246  1  0.285145  0.963477  0.372558  1
  H  H247  1  0.443472  0.839862  0.394780  1
  H  H248  1  0.626818  0.587091  0.350335  1
  H  H249  1  0.951812  0.963477  0.372558  1
  H  H250  1  0.110138  0.839862  0.394780  1
  H  H251  1  0.293485  0.587091  0.350335  1
  H  H252  1  0.960152  0.587091  0.350335  1
  H  H253  1  0.772969  0.457250  0.360776  1
  H  H254  1  0.439635  0.457250  0.360776  1
  H  H255  1  0.597962  0.333636  0.382998  1
  H  H256  1  0.781309  0.080864  0.338554  1
  H  H257  1  0.106302  0.457250  0.360776  1
  H  H258  1  0.264629  0.333636  0.382998  1
  H  H259  1  0.447975  0.080864  0.338554  1
  H  H260  1  0.606302  0.957250  0.360776  1
  H  H261  1  0.764629  0.833636  0.382998  1
  H  H262  1  0.931295  0.333636  0.382998  1
  H  H263  1  0.114642  0.080864  0.338554  1
  H  H264  1  0.272969  0.957250  0.360776  1
  H  H265  1  0.431295  0.833636  0.382998  1
  H  H266  1  0.614642  0.580864  0.338554  1
  H  H267  1  0.939635  0.957250  0.360776  1
  H  H268  1  0.097962  0.833636  0.382998  1
  H  H269  1  0.281309  0.580864  0.338554  1
  H  H270  1  0.947975  0.580864  0.338554  1
  H  H271  1  0.861051  0.349402  0.348122  1
  H  H272  1  0.527718  0.349402  0.348122  1
  H  H273  1  0.686044  0.225787  0.370345  1
  H  H274  1  0.844371  0.102173  0.392567  1
  H  H275  1  0.194384  0.349402  0.348122  1
  H  H276  1  0.352711  0.225787  0.370345  1
  H  H277  1  0.511038  0.102173  0.392567  1
  H  H278  1  0.694384  0.849402  0.348122  1
  H  H279  1  0.852711  0.725787  0.370345  1
  H  H280  1  0.019378  0.225787  0.370345  1
  H  H281  1  0.177704  0.102173  0.392567  1
  H  H282  1  0.361051  0.849402  0.348122  1
  H  H283  1  0.519378  0.725787  0.370345  1
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  H  H867  1  0.492800  0.778917  0.707434  1
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  H  H869  1  0.001140  0.902531  0.685211  1
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  H  H903  1  0.568706  0.664842  0.682998  1
  H  H904  1  0.727033  0.541227  0.705221  1
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  H  H910  1  0.902039  0.664842  0.682998  1
  H  H911  1  0.060366  0.541227  0.705221  1
  H  H912  1  0.218693  0.417613  0.727443  1
  H  H913  1  0.402039  0.164842  0.682998  1
  H  H914  1  0.560366  0.041227  0.705221  1
  H  H915  1  0.885359  0.417613  0.727443  1
  H  H916  1  0.068706  0.164842  0.682998  1
  H  H917  1  0.227033  0.041227  0.705221  1
  H  H918  1  0.893699  0.041227  0.705221  1
  H  H919  1  0.648448  0.933379  0.692567  1
  H  H920  1  0.315115  0.933379  0.692567  1
  H  H921  1  0.473442  0.809765  0.714789  1
  H  H922  1  0.656788  0.556993  0.670345  1
  H  H923  1  0.981782  0.933379  0.692567  1
  H  H924  1  0.140108  0.809765  0.714789  1
  H  H925  1  0.323455  0.556993  0.670345  1
  H  H926  1  0.481782  0.433379  0.692567  1
  H  H927  1  0.640108  0.309765  0.714789  1
  H  H928  1  0.806775  0.809765  0.714789  1
  H  H929  1  0.990122  0.556993  0.670345  1
  H  H930  1  0.148448  0.433379  0.692567  1
  H  H931  1  0.306775  0.309765  0.714789  1
  H  H932  1  0.490122  0.056993  0.670345  1
  H  H933  1  0.815115  0.433379  0.692567  1
  H  H934  1  0.973442  0.309765  0.714789  1
  H  H935  1  0.156788  0.056993  0.670345  1
  H  H936  1  0.823455  0.056993  0.670345  1
  H  H937  1  0.571964  0.217110  0.718545  1
  H  H938  1  0.238630  0.217110  0.718545  1
  H  H939  1  0.421977  0.964338  0.674100  1
  H  H940  1  0.580303  0.840724  0.696322  1
  H  H941  1  0.905297  0.217110  0.718545  1
  H  H942  1  0.088643  0.964338  0.674100  1
  H  H943  1  0.246970  0.840724  0.696322  1
  H  H944  1  0.405297  0.717110  0.718545  1
  H  H945  1  0.588643  0.464338  0.674100  1
  H  H946  1  0.755310  0.964338  0.674100  1
  H  H947  1  0.913637  0.840724  0.696322  1
  H  H948  1  0.071964  0.717110  0.718545  1
  H  H949  1  0.255310  0.464338  0.674100  1
  H  H950  1  0.413637  0.340724  0.696322  1
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  H  H952  1  0.921977  0.464338  0.674100  1
  H  H953  1  0.080303  0.340724  0.696322  1
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  H  H955  1  0.660046  0.109261  0.705891  1
  H  H956  1  0.326712  0.109261  0.705891  1
  H  H957  1  0.485039  0.985647  0.728113  1
  H  H958  1  0.668386  0.732876  0.683669  1
  H  H959  1  0.993379  0.109261  0.705891  1
  H  H960  1  0.151706  0.985647  0.728113  1
  H  H961  1  0.335052  0.732876  0.683669  1
  H  H962  1  0.493379  0.609261  0.705891  1
  H  H963  1  0.651706  0.485647  0.728113  1
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  H  H965  1  0.001719  0.732876  0.683669  1
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  H  H967  1  0.318373  0.485647  0.728113  1
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  H  H969  1  0.826712  0.609261  0.705891  1
  H  H970  1  0.985039  0.485647  0.728113  1
  H  H971  1  0.168386  0.232876  0.683669  1
  H  H972  1  0.835052  0.232876  0.683669  1
  H  H973  1  0.647869  0.103034  0.694109  1
  H  H974  1  0.314536  0.103034  0.694109  1
  H  H975  1  0.472863  0.979420  0.716332  1
  H  H976  1  0.656209  0.726649  0.671887  1
  H  H977  1  0.981203  0.103034  0.694109  1
  H  H978  1  0.139529  0.979420  0.716332  1
  H  H979  1  0.322876  0.726649  0.671887  1
  H  H980  1  0.481203  0.603034  0.694109  1
  H  H981  1  0.639529  0.479420  0.716332  1
  H  H982  1  0.806196  0.979420  0.716332  1
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  H  H984  1  0.147869  0.603034  0.694109  1
  H  H985  1  0.306196  0.479420  0.716332  1
  H  H986  1  0.489543  0.226649  0.671887  1
  H  H987  1  0.814536  0.603034  0.694109  1
  H  H988  1  0.972863  0.479420  0.716332  1
  H  H989  1  0.156209  0.226649  0.671887  1
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  H  H991  1  0.735952  0.995186  0.681456  1
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  H  H993  1  0.560945  0.871572  0.703678  1
  H  H994  1  0.719272  0.747958  0.725900  1
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  H  H999  1  0.727612  0.371572  0.703678  1
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  H  H1007  1  0.219272  0.247958  0.725900  1
  H  H1008  1  0.885938  0.247958  0.725900  1
