# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.62254089
_cell_length_b   16.02833597
_cell_length_c   47.01579230
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.27304622
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H432
_cell_volume   15475.0675628
_cell_formula_units_Z   216
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  0.221189  0.596644  0.285911  1
  H  H2  1  0.230356  0.224980  0.309720  1
  H  H3  1  0.406189  0.186649  0.333530  1
  H  H4  1  0.554522  0.263311  0.285911  1
  H  H5  1  0.239523  0.853316  0.333530  1
  H  H6  1  0.387856  0.929978  0.285911  1
  H  H7  1  0.397022  0.558313  0.309720  1
  H  H8  1  0.572856  0.519983  0.333530  1
  H  H9  1  0.721189  0.596644  0.285911  1
  H  H10  1  0.730356  0.224980  0.309720  1
  H  H11  1  0.906189  0.186649  0.333530  1
  H  H12  1  0.054522  0.263311  0.285911  1
  H  H13  1  0.563689  0.891647  0.309720  1
  H  H14  1  0.739523  0.853316  0.333530  1
  H  H15  1  0.887856  0.929978  0.285911  1
  H  H16  1  0.897022  0.558313  0.309720  1
  H  H17  1  0.072856  0.519983  0.333530  1
  H  H18  1  0.063689  0.891647  0.309720  1
  H  H19  1  0.190078  0.661096  0.349403  1
  H  H20  1  0.171745  0.404424  0.301784  1
  H  H21  1  0.347578  0.366093  0.325593  1
  H  H22  1  0.523412  0.327762  0.349403  1
  H  H23  1  0.180911  0.032760  0.325593  1
  H  H24  1  0.356745  0.994429  0.349403  1
  H  H25  1  0.338411  0.737757  0.301784  1
  H  H26  1  0.514245  0.699426  0.325593  1
  H  H27  1  0.690078  0.661096  0.349403  1
  H  H28  1  0.671745  0.404424  0.301784  1
  H  H29  1  0.847578  0.366093  0.325593  1
  H  H30  1  0.023412  0.327762  0.349403  1
  H  H31  1  0.505078  0.071090  0.301784  1
  H  H32  1  0.680911  0.032760  0.325593  1
  H  H33  1  0.856745  0.994429  0.349403  1
  H  H34  1  0.838411  0.737757  0.301784  1
  H  H35  1  0.014245  0.699426  0.325593  1
  H  H36  1  0.005078  0.071090  0.301784  1
  H  H37  1  0.192983  0.701758  0.356947  1
  H  H38  1  0.174649  0.445086  0.309328  1
  H  H39  1  0.350483  0.406756  0.333137  1
  H  H40  1  0.526316  0.368425  0.356947  1
  H  H41  1  0.183816  0.073422  0.333137  1
  H  H42  1  0.359649  0.035092  0.356947  1
  H  H43  1  0.341316  0.778420  0.309328  1
  H  H44  1  0.517149  0.740089  0.333137  1
  H  H45  1  0.692983  0.701758  0.356947  1
  H  H46  1  0.674649  0.445086  0.309328  1
  H  H47  1  0.850483  0.406756  0.333137  1
  H  H48  1  0.026316  0.368425  0.356947  1
  H  H49  1  0.507982  0.111753  0.309328  1
  H  H50  1  0.683816  0.073422  0.333137  1
  H  H51  1  0.859649  0.035092  0.356947  1
  H  H52  1  0.841316  0.778420  0.309328  1
  H  H53  1  0.017149  0.740089  0.333137  1
  H  H54  1  0.007982  0.111753  0.309328  1
  H  H55  1  0.224093  0.637307  0.293455  1
  H  H56  1  0.233260  0.265643  0.317264  1
  H  H57  1  0.409094  0.227312  0.341074  1
  H  H58  1  0.557427  0.303974  0.293455  1
  H  H59  1  0.242427  0.893979  0.341074  1
  H  H60  1  0.390760  0.970640  0.293455  1
  H  H61  1  0.399927  0.598976  0.317264  1
  H  H62  1  0.575760  0.560645  0.341074  1
  H  H63  1  0.724093  0.637307  0.293455  1
  H  H64  1  0.733260  0.265643  0.317264  1
  H  H65  1  0.909094  0.227312  0.341074  1
  H  H66  1  0.057427  0.303974  0.293455  1
  H  H67  1  0.566594  0.932310  0.317264  1
  H  H68  1  0.742427  0.893979  0.341074  1
  H  H69  1  0.890760  0.970640  0.293455  1
  H  H70  1  0.899927  0.598976  0.317264  1
  H  H71  1  0.075760  0.560645  0.341074  1
  H  H72  1  0.066594  0.932310  0.317264  1
  H  H73  1  0.248689  0.481652  0.357339  1
  H  H74  1  0.257856  0.109988  0.381149  1
  H  H75  1  0.433690  0.071657  0.404958  1
  H  H76  1  0.582023  0.148319  0.357339  1
  H  H77  1  0.267023  0.738324  0.404958  1
  H  H78  1  0.415356  0.814985  0.357339  1
  H  H79  1  0.424523  0.443321  0.381149  1
  H  H80  1  0.600356  0.404990  0.404958  1
  H  H81  1  0.748689  0.481652  0.357339  1
  H  H82  1  0.757856  0.109988  0.381149  1
  H  H83  1  0.933690  0.071657  0.404958  1
  H  H84  1  0.082023  0.148319  0.357339  1
  H  H85  1  0.591190  0.776655  0.381149  1
  H  H86  1  0.767023  0.738324  0.404958  1
  H  H87  1  0.915356  0.814985  0.357339  1
  H  H88  1  0.924523  0.443321  0.381149  1
  H  H89  1  0.100356  0.404990  0.404958  1
  H  H90  1  0.091190  0.776655  0.381149  1
  H  H91  1  0.217579  0.546103  0.420831  1
  H  H92  1  0.199245  0.289431  0.373212  1
  H  H93  1  0.375079  0.251101  0.397022  1
  H  H94  1  0.550912  0.212770  0.420831  1
  H  H95  1  0.208412  0.917767  0.397022  1
  H  H96  1  0.384245  0.879437  0.420831  1
  H  H97  1  0.365912  0.622765  0.373212  1
  H  H98  1  0.541745  0.584434  0.397022  1
  H  H99  1  0.717579  0.546103  0.420831  1
  H  H100  1  0.699245  0.289431  0.373212  1
  H  H101  1  0.875079  0.251101  0.397022  1
  H  H102  1  0.050912  0.212770  0.420831  1
  H  H103  1  0.532578  0.956098  0.373212  1
  H  H104  1  0.708412  0.917767  0.397022  1
  H  H105  1  0.884245  0.879437  0.420831  1
  H  H106  1  0.865912  0.622765  0.373212  1
  H  H107  1  0.041745  0.584434  0.397022  1
  H  H108  1  0.032578  0.956098  0.373212  1
  H  H109  1  0.220483  0.586766  0.428375  1
  H  H110  1  0.202150  0.330094  0.380756  1
  H  H111  1  0.377983  0.291763  0.404566  1
  H  H112  1  0.553817  0.253433  0.428375  1
  H  H113  1  0.211316  0.958430  0.404566  1
  H  H114  1  0.387150  0.920099  0.428375  1
  H  H115  1  0.368816  0.663427  0.380756  1
  H  H116  1  0.544650  0.625097  0.404566  1
  H  H117  1  0.720483  0.586766  0.428375  1
  H  H118  1  0.702150  0.330094  0.380756  1
  H  H119  1  0.877983  0.291763  0.404566  1
  H  H120  1  0.053817  0.253433  0.428375  1
  H  H121  1  0.535483  0.996761  0.380756  1
  H  H122  1  0.711316  0.958430  0.404566  1
  H  H123  1  0.887150  0.920099  0.428375  1
  H  H124  1  0.868816  0.663427  0.380756  1
  H  H125  1  0.044650  0.625097  0.404566  1
  H  H126  1  0.035483  0.996761  0.380756  1
  H  H127  1  0.251594  0.522315  0.364883  1
  H  H128  1  0.260761  0.150651  0.388693  1
  H  H129  1  0.436594  0.112320  0.412502  1
  H  H130  1  0.584927  0.188981  0.364883  1
  H  H131  1  0.269928  0.778986  0.412502  1
  H  H132  1  0.418261  0.855648  0.364883  1
  H  H133  1  0.427427  0.483984  0.388693  1
  H  H134  1  0.603261  0.445653  0.412502  1
  H  H135  1  0.751594  0.522315  0.364883  1
  H  H136  1  0.760761  0.150651  0.388693  1
  H  H137  1  0.936594  0.112320  0.412502  1
  H  H138  1  0.084927  0.188981  0.364883  1
  H  H139  1  0.594094  0.817317  0.388693  1
  H  H140  1  0.769928  0.778986  0.412502  1
  H  H141  1  0.918261  0.855648  0.364883  1
  H  H142  1  0.927427  0.483984  0.388693  1
  H  H143  1  0.103261  0.445653  0.412502  1
  H  H144  1  0.094094  0.817317  0.388693  1
  H  H145  1  0.276190  0.366660  0.428768  1
  H  H146  1  0.285357  0.994996  0.452577  1
  H  H147  1  0.461190  0.956665  0.476387  1
  H  H148  1  0.609523  0.033326  0.428768  1
  H  H149  1  0.294524  0.623331  0.476387  1
  H  H150  1  0.442857  0.699993  0.428768  1
  H  H151  1  0.452023  0.328329  0.452577  1
  H  H152  1  0.627857  0.289998  0.476387  1
  H  H153  1  0.776190  0.366660  0.428768  1
  H  H154  1  0.785357  0.994996  0.452577  1
  H  H155  1  0.961190  0.956665  0.476387  1
  H  H156  1  0.109523  0.033326  0.428768  1
  H  H157  1  0.618690  0.661662  0.452577  1
  H  H158  1  0.794524  0.623331  0.476387  1
  H  H159  1  0.942857  0.699993  0.428768  1
  H  H160  1  0.952023  0.328329  0.452577  1
  H  H161  1  0.127857  0.289998  0.476387  1
  H  H162  1  0.118690  0.661662  0.452577  1
  H  H163  1  0.245079  0.431111  0.492260  1
  H  H164  1  0.226746  0.174439  0.444641  1
  H  H165  1  0.402579  0.136108  0.468450  1
  H  H166  1  0.578413  0.097778  0.492260  1
  H  H167  1  0.235913  0.802775  0.468450  1
  H  H168  1  0.411746  0.764444  0.492260  1
  H  H169  1  0.393412  0.507772  0.444641  1
  H  H170  1  0.569246  0.469442  0.468450  1
  H  H171  1  0.745079  0.431111  0.492260  1
  H  H172  1  0.726746  0.174439  0.444641  1
  H  H173  1  0.902579  0.136108  0.468450  1
  H  H174  1  0.078413  0.097778  0.492260  1
  H  H175  1  0.560079  0.841106  0.444641  1
  H  H176  1  0.735913  0.802775  0.468450  1
  H  H177  1  0.911746  0.764444  0.492260  1
  H  H178  1  0.893412  0.507772  0.444641  1
  H  H179  1  0.069246  0.469442  0.468450  1
  H  H180  1  0.060079  0.841106  0.444641  1
  H  H181  1  0.247984  0.471774  0.499804  1
  H  H182  1  0.229650  0.215102  0.452185  1
  H  H183  1  0.405484  0.176771  0.475994  1
  H  H184  1  0.581317  0.138440  0.499804  1
  H  H185  1  0.238817  0.843438  0.475994  1
  H  H186  1  0.414650  0.805107  0.499804  1
  H  H187  1  0.396317  0.548435  0.452185  1
  H  H188  1  0.572150  0.510104  0.475994  1
  H  H189  1  0.747984  0.471774  0.499804  1
  H  H190  1  0.729650  0.215102  0.452185  1
  H  H191  1  0.905484  0.176771  0.475994  1
  H  H192  1  0.081317  0.138440  0.499804  1
  H  H193  1  0.562983  0.881769  0.452185  1
  H  H194  1  0.738817  0.843438  0.475994  1
  H  H195  1  0.914650  0.805107  0.499804  1
  H  H196  1  0.896317  0.548435  0.452185  1
  H  H197  1  0.072150  0.510104  0.475994  1
  H  H198  1  0.062983  0.881769  0.452185  1
  H  H199  1  0.279094  0.407322  0.436312  1
  H  H200  1  0.288261  0.035658  0.460121  1
  H  H201  1  0.464095  0.997327  0.483931  1
  H  H202  1  0.612428  0.073989  0.436312  1
  H  H203  1  0.297428  0.663994  0.483931  1
  H  H204  1  0.445761  0.740656  0.436312  1
  H  H205  1  0.454928  0.368992  0.460121  1
  H  H206  1  0.630761  0.330661  0.483931  1
  H  H207  1  0.779094  0.407322  0.436312  1
  H  H208  1  0.788261  0.035658  0.460121  1
  H  H209  1  0.964095  0.997327  0.483931  1
  H  H210  1  0.112428  0.073989  0.436312  1
  H  H211  1  0.621595  0.702325  0.460121  1
  H  H212  1  0.797428  0.663994  0.483931  1
  H  H213  1  0.945761  0.740656  0.436312  1
  H  H214  1  0.954928  0.368992  0.460121  1
  H  H215  1  0.130761  0.330661  0.483931  1
  H  H216  1  0.121595  0.702325  0.460121  1
  H  H217  1  0.303691  0.251667  0.500196  1
  H  H218  1  0.312857  0.880003  0.524006  1
  H  H219  1  0.488691  0.841672  0.547815  1
  H  H220  1  0.637024  0.918334  0.500196  1
  H  H221  1  0.322024  0.508339  0.547815  1
  H  H222  1  0.470357  0.585001  0.500196  1
  H  H223  1  0.479524  0.213337  0.524006  1
  H  H224  1  0.655358  0.175006  0.547815  1
  H  H225  1  0.803691  0.251667  0.500196  1
  H  H226  1  0.812857  0.880003  0.524006  1
  H  H227  1  0.988691  0.841672  0.547815  1
  H  H228  1  0.137024  0.918334  0.500196  1
  H  H229  1  0.646191  0.546670  0.524006  1
  H  H230  1  0.822024  0.508339  0.547815  1
  H  H231  1  0.970357  0.585001  0.500196  1
  H  H232  1  0.979524  0.213337  0.524006  1
  H  H233  1  0.155358  0.175006  0.547815  1
  H  H234  1  0.146191  0.546670  0.524006  1
  H  H235  1  0.272580  0.316119  0.563688  1
  H  H236  1  0.254246  0.059447  0.516069  1
  H  H237  1  0.430080  0.021116  0.539879  1
  H  H238  1  0.605913  0.982785  0.563688  1
  H  H239  1  0.263413  0.687783  0.539879  1
  H  H240  1  0.439247  0.649452  0.563688  1
  H  H241  1  0.420913  0.392780  0.516069  1
  H  H242  1  0.596746  0.354449  0.539879  1
  H  H243  1  0.772580  0.316119  0.563688  1
  H  H244  1  0.754246  0.059447  0.516069  1
  H  H245  1  0.930080  0.021116  0.539879  1
  H  H246  1  0.105913  0.982785  0.563688  1
  H  H247  1  0.587580  0.726113  0.516069  1
  H  H248  1  0.763413  0.687783  0.539879  1
  H  H249  1  0.939247  0.649452  0.563688  1
  H  H250  1  0.920913  0.392780  0.516069  1
  H  H251  1  0.096746  0.354449  0.539879  1
  H  H252  1  0.087580  0.726113  0.516069  1
  H  H253  1  0.275484  0.356781  0.571232  1
  H  H254  1  0.257151  0.100110  0.523613  1
  H  H255  1  0.432984  0.061779  0.547423  1
  H  H256  1  0.608818  0.023448  0.571232  1
  H  H257  1  0.266318  0.728445  0.547423  1
  H  H258  1  0.442151  0.690115  0.571232  1
  H  H259  1  0.423817  0.433443  0.523613  1
  H  H260  1  0.599651  0.395112  0.547423  1
  H  H261  1  0.775484  0.356781  0.571232  1
  H  H262  1  0.757151  0.100110  0.523613  1
  H  H263  1  0.932984  0.061779  0.547423  1
  H  H264  1  0.108818  0.023448  0.571232  1
  H  H265  1  0.590484  0.766776  0.523613  1
  H  H266  1  0.766318  0.728445  0.547423  1
  H  H267  1  0.942151  0.690115  0.571232  1
  H  H268  1  0.923817  0.433443  0.523613  1
  H  H269  1  0.099651  0.395112  0.547423  1
  H  H270  1  0.090484  0.766776  0.523613  1
  H  H271  1  0.306595  0.292330  0.507740  1
  H  H272  1  0.315762  0.920666  0.531550  1
  H  H273  1  0.491595  0.882335  0.555359  1
  H  H274  1  0.639928  0.958997  0.507740  1
  H  H275  1  0.324929  0.549002  0.555359  1
  H  H276  1  0.473262  0.625663  0.507740  1
  H  H277  1  0.482429  0.253999  0.531550  1
  H  H278  1  0.658262  0.215669  0.555359  1
  H  H279  1  0.806595  0.292330  0.507740  1
  H  H280  1  0.815762  0.920666  0.531550  1
  H  H281  1  0.991595  0.882335  0.555359  1
  H  H282  1  0.139928  0.958997  0.507740  1
  H  H283  1  0.649095  0.587333  0.531550  1
  H  H284  1  0.824929  0.549002  0.555359  1
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  H  H308  1  0.281747  0.944455  0.587498  1
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  H  H337  1  0.617985  0.651784  0.595042  1
  H  H338  1  0.793818  0.613453  0.618851  1
  H  H339  1  0.969652  0.575122  0.642661  1
  H  H340  1  0.951318  0.318451  0.595042  1
  H  H341  1  0.127151  0.280120  0.618851  1
  H  H342  1  0.117985  0.651784  0.595042  1
  H  H343  1  0.334096  0.177338  0.579169  1
  H  H344  1  0.343262  0.805674  0.602978  1
  H  H345  1  0.519096  0.767343  0.626788  1
  H  H346  1  0.667429  0.844004  0.579169  1
  H  H347  1  0.352429  0.434010  0.626788  1
  H  H348  1  0.500762  0.510671  0.579169  1
  H  H349  1  0.509929  0.139007  0.602978  1
  H  H350  1  0.685763  0.100676  0.626788  1
  H  H351  1  0.834096  0.177338  0.579169  1
  H  H352  1  0.843262  0.805674  0.602978  1
  H  H353  1  0.019096  0.767343  0.626788  1
  H  H354  1  0.167429  0.844004  0.579169  1
  H  H355  1  0.676596  0.472340  0.602978  1
  H  H356  1  0.852429  0.434010  0.626788  1
  H  H357  1  0.000762  0.510671  0.579169  1
  H  H358  1  0.009929  0.139007  0.602978  1
  H  H359  1  0.185763  0.100676  0.626788  1
  H  H360  1  0.176596  0.472340  0.602978  1
  H  H361  1  0.358692  0.021683  0.643053  1
  H  H362  1  0.367858  0.650019  0.666863  1
  H  H363  1  0.543692  0.611688  0.690672  1
  H  H364  1  0.692025  0.688349  0.643053  1
  H  H365  1  0.377025  0.278355  0.690672  1
  H  H366  1  0.525358  0.355016  0.643053  1
  H  H367  1  0.534525  0.983352  0.666863  1
  H  H368  1  0.710359  0.945021  0.690672  1
  H  H369  1  0.858692  0.021683  0.643053  1
  H  H370  1  0.867858  0.650019  0.666863  1
  H  H371  1  0.043692  0.611688  0.690672  1
  H  H372  1  0.192025  0.688349  0.643053  1
  H  H373  1  0.701192  0.316685  0.666863  1
  H  H374  1  0.877025  0.278355  0.690672  1
  H  H375  1  0.025358  0.355016  0.643053  1
  H  H376  1  0.034525  0.983352  0.666863  1
  H  H377  1  0.210359  0.945021  0.690672  1
  H  H378  1  0.201192  0.316685  0.666863  1
  H  H379  1  0.327581  0.086134  0.706545  1
  H  H380  1  0.309247  0.829462  0.658926  1
  H  H381  1  0.485081  0.791131  0.682736  1
  H  H382  1  0.660914  0.752801  0.706545  1
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  H  H384  1  0.494248  0.419467  0.706545  1
  H  H385  1  0.475914  0.162796  0.658926  1
  H  H386  1  0.651747  0.124465  0.682736  1
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  H  H388  1  0.809247  0.829462  0.658926  1
  H  H389  1  0.985081  0.791131  0.682736  1
  H  H390  1  0.160914  0.752801  0.706545  1
  H  H391  1  0.642581  0.496129  0.658926  1
  H  H392  1  0.818414  0.457798  0.682736  1
  H  H393  1  0.994248  0.419467  0.706545  1
  H  H394  1  0.975914  0.162796  0.658926  1
  H  H395  1  0.151747  0.124465  0.682736  1
  H  H396  1  0.142581  0.496129  0.658926  1
  H  H397  1  0.330485  0.126797  0.714089  1
  H  H398  1  0.312152  0.870125  0.666470  1
  H  H399  1  0.487985  0.831794  0.690280  1
  H  H400  1  0.663819  0.793463  0.714089  1
  H  H401  1  0.321319  0.498461  0.690280  1
  H  H402  1  0.497152  0.460130  0.714089  1
  H  H403  1  0.478818  0.203458  0.666470  1
  H  H404  1  0.654652  0.165127  0.690280  1
  H  H405  1  0.830485  0.126797  0.714089  1
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  H  H409  1  0.645485  0.536792  0.666470  1
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  H  H426  1  0.194929  0.729012  0.650597  1
  H  H427  1  0.704096  0.357348  0.674407  1
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  H  H429  1  0.028263  0.395679  0.650597  1
  H  H430  1  0.037430  0.024015  0.674407  1
  H  H431  1  0.213263  0.985684  0.698216  1
  H  H432  1  0.204096  0.357348  0.674407  1
