# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.77915785
_cell_length_b   21.14958853
_cell_length_c   48.59475960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.76744431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H720
_cell_volume   15193.3864795
_cell_formula_units_Z   360
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  0.652071  0.507211  0.254929  1
  H  H2  1  0.666614  0.387683  0.275555  1
  H  H3  1  0.390503  0.418142  0.257910  1
  H  H4  1  0.604086  0.328128  0.309441  1
  H  H5  1  0.315998  0.377345  0.284083  1
  H  H6  1  0.652071  0.007211  0.254929  1
  H  H7  1  1.029636  0.453459  0.253539  1
  H  H8  1  0.259430  0.323567  0.310890  1
  H  H9  1  0.666614  0.887683  0.275555  1
  H  H10  1  0.973176  0.387855  0.278375  1
  H  H11  1  0.390503  0.918142  0.257910  1
  H  H12  1  0.604086  0.828128  0.309441  1
  H  H13  1  0.931086  0.327269  0.308414  1
  H  H14  1  0.315998  0.877345  0.284083  1
  H  H15  1  1.029636  0.953459  0.253539  1
  H  H16  1  0.259430  0.823567  0.310890  1
  H  H17  1  0.973176  0.887855  0.278375  1
  H  H18  1  0.931086  0.827269  0.308414  1
  H  H19  1  0.710121  0.463284  0.298626  1
  H  H20  1  0.665223  0.400436  0.325381  1
  H  H21  1  0.382865  0.461651  0.304361  1
  H  H22  1  0.769916  0.024627  0.268222  1
  H  H23  1  0.327578  0.398436  0.329123  1
  H  H24  1  0.710121  0.963284  0.298626  1
  H  H25  1  1.045986  0.457838  0.300801  1
  H  H26  1  0.405885  0.022580  0.267980  1
  H  H27  1  0.665223  0.900436  0.325381  1
  H  H28  1  0.990323  0.398285  0.327292  1
  H  H29  1  0.382865  0.961651  0.304361  1
  H  H30  1  0.769916  0.524627  0.268222  1
  H  H31  1  1.096880  0.023278  0.270967  1
  H  H32  1  0.327578  0.898436  0.329123  1
  H  H33  1  1.045986  0.957838  0.300801  1
  H  H34  1  0.405885  0.522580  0.267980  1
  H  H35  1  0.990323  0.898285  0.327292  1
  H  H36  1  1.096880  0.523278  0.270967  1
  H  H37  1  0.625367  0.583230  0.295600  1
  H  H38  1  0.577240  0.526703  0.327332  1
  H  H39  1  0.284042  0.582710  0.298423  1
  H  H40  1  0.670854  0.148765  0.267282  1
  H  H41  1  0.248376  0.523001  0.330430  1
  H  H42  1  0.625367  0.083230  0.295600  1
  H  H43  1  0.963794  0.581638  0.299734  1
  H  H44  1  0.329380  0.146571  0.269011  1
  H  H45  1  0.577240  0.026703  0.327332  1
  H  H46  1  0.910120  0.523124  0.327932  1
  H  H47  1  0.284042  0.082710  0.298423  1
  H  H48  1  0.670854  0.648765  0.267282  1
  H  H49  1  0.994730  0.146554  0.268379  1
  H  H50  1  0.248376  0.023001  0.330430  1
  H  H51  1  0.963794  0.081638  0.299734  1
  H  H52  1  0.329380  0.646571  0.269011  1
  H  H53  1  0.910120  0.023124  0.327932  1
  H  H54  1  0.994730  0.646554  0.268379  1
  H  H55  1  0.490457  0.649197  0.323909  1
  H  H56  1  0.584946  0.279435  0.268401  1
  H  H57  1  1.155453  0.647083  0.327714  1
  H  H58  1  0.542044  0.209243  0.295889  1
  H  H59  1  0.247000  0.272393  0.270166  1
  H  H60  1  0.490457  0.149197  0.323909  1
  H  H61  1  0.826542  0.645734  0.327202  1
  H  H62  1  0.200770  0.207006  0.298079  1
  H  H63  1  0.584946  0.779435  0.268401  1
  H  H64  1  0.912776  0.272761  0.269450  1
  H  H65  1  1.155453  0.147083  0.327714  1
  H  H66  1  0.542044  0.709243  0.295889  1
  H  H67  1  0.873892  0.206087  0.299499  1
  H  H68  1  0.247000  0.772393  0.270166  1
  H  H69  1  0.826542  0.145734  0.327202  1
  H  H70  1  0.200770  0.707006  0.298079  1
  H  H71  1  0.912776  0.772761  0.269450  1
  H  H72  1  0.873892  0.706087  0.299499  1
  H  H73  1  0.409272  0.775247  0.324892  1
  H  H74  1  0.521214  0.406771  0.276338  1
  H  H75  1  1.071825  0.771656  0.326967  1
  H  H76  1  0.462043  0.337252  0.298221  1
  H  H77  1  0.175440  0.397111  0.271576  1
  H  H78  1  0.409272  0.275247  0.324892  1
  H  H79  1  0.745313  0.771961  0.327274  1
  H  H80  1  1.117611  0.334090  0.298036  1
  H  H81  1  0.521214  0.906771  0.276338  1
  H  H82  1  0.825829  0.399387  0.268464  1
  H  H83  1  1.071825  0.271656  0.326967  1
  H  H84  1  0.462043  0.837252  0.298221  1
  H  H85  1  0.794579  0.332124  0.299978  1
  H  H86  1  0.175440  0.897111  0.271576  1
  H  H87  1  0.745313  0.271961  0.327274  1
  H  H88  1  1.117611  0.834090  0.298036  1
  H  H89  1  0.825829  0.899387  0.268464  1
  H  H90  1  0.794579  0.832124  0.299978  1
  H  H91  1  0.465566  0.885437  0.341490  1
  H  H92  1  0.550991  0.503349  0.283998  1
  H  H93  1  1.129726  0.889856  0.338371  1
  H  H94  1  0.515724  0.451951  0.320171  1
  H  H95  1  0.244477  0.501716  0.280753  1
  H  H96  1  0.465566  0.385437  0.341490  1
  H  H97  1  0.803339  0.892469  0.337145  1
  H  H98  1  0.183834  0.451696  0.311625  1
  H  H99  1  0.550991  0.003349  0.283998  1
  H  H100  1  0.904078  0.513826  0.280912  1
  H  H101  1  1.129726  0.389856  0.338371  1
  H  H102  1  0.515724  0.951951  0.320171  1
  H  H103  1  0.848178  0.453862  0.308327  1
  H  H104  1  0.244477  0.001716  0.280753  1
  H  H105  1  0.803339  0.392469  0.337145  1
  H  H106  1  0.183834  0.951696  0.311625  1
  H  H107  1  0.904078  0.013826  0.280912  1
  H  H108  1  0.848178  0.953862  0.308327  1
  H  H109  1  0.480290  0.627685  0.277430  1
  H  H110  1  0.422927  0.572404  0.309193  1
  H  H111  1  1.143002  0.631137  0.277959  1
  H  H112  1  0.386969  0.514025  0.346954  1
  H  H113  1  1.102358  0.574248  0.311290  1
  H  H114  1  0.480290  0.127685  0.277430  1
  H  H115  1  0.816956  0.636213  0.278203  1
  H  H116  1  1.048819  0.515911  0.340142  1
  H  H117  1  0.422927  0.072404  0.309193  1
  H  H118  1  0.763097  0.578528  0.308856  1
  H  H119  1  1.143002  0.131137  0.277959  1
  H  H120  1  0.386969  0.014025  0.346954  1
  H  H121  1  0.714721  0.518302  0.337898  1
  H  H122  1  1.102358  0.074248  0.311290  1
  H  H123  1  0.816956  0.136213  0.278203  1
  H  H124  1  1.048819  0.015911  0.340142  1
  H  H125  1  0.763097  0.078528  0.308856  1
  H  H126  1  0.714721  0.018302  0.337898  1
  H  H127  1  0.397648  0.755428  0.277952  1
  H  H128  1  0.343619  0.698946  0.308471  1
  H  H129  1  1.059805  0.760354  0.277810  1
  H  H130  1  0.292870  0.637336  0.336942  1
  H  H131  1  1.013171  0.699621  0.308278  1
  H  H132  1  0.397648  0.255428  0.277952  1
  H  H133  1  0.732608  0.763068  0.278295  1
  H  H134  1  0.966628  0.639321  0.338880  1
  H  H135  1  0.343619  0.198946  0.308471  1
  H  H136  1  0.681987  0.702571  0.307477  1
  H  H137  1  1.059805  0.260354  0.277810  1
  H  H138  1  0.292870  0.137336  0.336942  1
  H  H139  1  0.628647  0.640773  0.335879  1
  H  H140  1  1.013171  0.199621  0.308278  1
  H  H141  1  0.732608  0.263068  0.278295  1
  H  H142  1  0.966628  0.139321  0.338880  1
  H  H143  1  0.681987  0.202571  0.307477  1
  H  H144  1  0.628647  0.140773  0.335879  1
  H  H145  1  0.549973  0.765142  0.335922  1
  H  H146  1  0.497079  0.704163  0.364503  1
  H  H147  1  0.210350  0.762585  0.337460  1
  H  H148  1  0.444944  0.644610  0.393990  1
  H  H149  1  0.161848  0.703088  0.366900  1
  H  H150  1  0.549973  0.265142  0.335922  1
  H  H151  1  0.885057  0.765362  0.337404  1
  H  H152  1  1.120985  0.641951  0.398208  1
  H  H153  1  0.497079  0.204163  0.364503  1
  H  H154  1  0.834551  0.703738  0.365986  1
  H  H155  1  0.210350  0.262585  0.337460  1
  H  H156  1  0.444944  0.144610  0.393990  1
  H  H157  1  0.778433  0.644996  0.395239  1
  H  H158  1  0.161848  0.203088  0.366900  1
  H  H159  1  0.885057  0.265362  0.337404  1
  H  H160  1  1.120985  0.141951  0.398208  1
  H  H161  1  0.834551  0.203738  0.365986  1
  H  H162  1  0.778433  0.144996  0.395239  1
  H  H163  1  0.557825  0.789206  0.381482  1
  H  H164  1  0.499640  0.738074  0.409516  1
  H  H165  1  0.222279  0.781231  0.383098  1
  H  H166  1  0.610747  0.349352  0.355449  1
  H  H167  1  0.173354  0.727125  0.412655  1
  H  H168  1  0.557825  0.289206  0.381482  1
  H  H169  1  0.895037  0.778253  0.384457  1
  H  H170  1  0.273560  0.340422  0.356339  1
  H  H171  1  0.499640  0.238074  0.409516  1
  H  H172  1  0.839061  0.724397  0.412183  1
  H  H173  1  0.222279  0.281231  0.383098  1
  H  H174  1  0.610747  0.849352  0.355449  1
  H  H175  1  0.943601  0.337765  0.356318  1
  H  H176  1  0.173354  0.227125  0.412655  1
  H  H177  1  0.895037  0.278253  0.384457  1
  H  H178  1  0.273560  0.840422  0.356339  1
  H  H179  1  0.839061  0.224397  0.412183  1
  H  H180  1  0.943601  0.837765  0.356318  1
  H  H181  1  0.475879  0.916435  0.385517  1
  H  H182  1  0.417698  0.860988  0.411553  1
  H  H183  1  1.139478  0.906121  0.384744  1
  H  H184  1  0.533471  0.479733  0.364760  1
  H  H185  1  1.087410  0.851829  0.412577  1
  H  H186  1  0.475879  0.416435  0.385517  1
  H  H187  1  0.813423  0.906069  0.384603  1
  H  H188  1  0.193257  0.464350  0.358028  1
  H  H189  1  0.417698  0.360988  0.411553  1
  H  H190  1  0.760749  0.851437  0.412411  1
  H  H191  1  1.139478  0.406121  0.384744  1
  H  H192  1  0.533471  -0.020267  0.364760  1
  H  H193  1  0.858866  0.465419  0.356198  1
  H  H194  1  1.087410  0.351829  0.412577  1
  H  H195  1  0.813423  0.406069  0.384603  1
  H  H196  1  0.193257  0.964350  0.358028  1
  H  H197  1  0.760749  0.351437  0.412411  1
  H  H198  1  0.858866  -0.034581  0.356198  1
  H  H199  1  0.345757  -0.016501  0.413791  1
  H  H200  1  0.437955  0.595422  0.353554  1
  H  H201  1  0.995406  -0.026133  0.415266  1
  H  H202  1  0.414287  0.543974  0.394003  1
  H  H203  1  1.113378  0.587070  0.358632  1
  H  H204  1  0.345757  0.483499  0.413791  1
  H  H205  1  0.762440  0.964326  0.425190  1
  H  H206  1  1.057874  0.528203  0.387106  1
  H  H207  1  0.437955  0.095422  0.353554  1
  H  H208  1  0.773191  0.588758  0.356313  1
  H  H209  1  0.995406  0.473867  0.415266  1
  H  H210  1  0.414287  0.043974  0.394003  1
  H  H211  1  0.715139  0.532714  0.385726  1
  H  H212  1  1.113378  0.087070  0.358632  1
  H  H213  1  0.762440  0.464326  0.425190  1
  H  H214  1  1.057874  0.028203  0.387106  1
  H  H215  1  0.773191  0.088758  0.356313  1
  H  H216  1  0.715139  0.032714  0.385726  1
  H  H217  1  0.273146  0.105961  0.414799  1
  H  H218  1  0.357344  0.718275  0.353671  1
  H  H219  1  0.921646  0.097660  0.413771  1
  H  H220  1  0.306620  0.659889  0.381108  1
  H  H221  1  1.025977  0.711563  0.356626  1
  H  H222  1  0.273146  0.605961  0.414799  1
  H  H223  1  0.577965  0.115744  0.412626  1
  H  H224  1  0.978899  0.651936  0.385692  1
  H  H225  1  0.357344  0.218275  0.353671  1
  H  H226  1  0.692014  0.715818  0.354461  1
  H  H227  1  0.921646  0.597660  0.413771  1
  H  H228  1  0.306620  0.159889  0.381108  1
  H  H229  1  0.638944  0.659298  0.382363  1
  H  H230  1  1.025977  0.211563  0.356626  1
  H  H231  1  0.577965  0.615744  0.412626  1
  H  H232  1  0.978899  0.151936  0.385692  1
  H  H233  1  0.692014  0.215818  0.354461  1
  H  H234  1  0.638944  0.159298  0.382363  1
  H  H235  1  0.318079  0.196922  0.424046  1
  H  H236  1  0.412612  0.825161  0.367792  1
  H  H237  1  0.975757  0.211720  0.424559  1
  H  H238  1  0.359129  0.766589  0.396195  1
  H  H239  1  1.079508  0.829444  0.366392  1
  H  H240  1  0.318079  0.696922  0.424046  1
  H  H241  1  0.640219  0.216599  0.421864  1
  H  H242  1  1.031758  0.769024  0.396502  1
  H  H243  1  0.412612  0.325161  0.367792  1
  H  H244  1  0.755109  0.829740  0.365535  1
  H  H245  1  0.975757  0.711720  0.424559  1
  H  H246  1  0.359129  0.266589  0.396195  1
  H  H247  1  0.699910  0.771290  0.393608  1
  H  H248  1  1.079508  0.329444  0.366392  1
  H  H249  1  0.640219  0.716599  0.421864  1
  H  H250  1  1.031758  0.269024  0.396502  1
  H  H251  1  0.755109  0.329740  0.365535  1
  H  H252  1  0.699910  0.271290  0.393608  1
  H  H253  1  0.331935  0.950244  0.370375  1
  H  H254  1  0.276406  0.892231  0.397735  1
  H  H255  1  0.995876  0.954997  0.367874  1
  H  H256  1  0.226325  0.829279  0.424138  1
  H  H257  1  0.947160  0.894302  0.396546  1
  H  H258  1  0.331935  0.450244  0.370375  1
  H  H259  1  0.676723  0.951067  0.365979  1
  H  H260  1  0.894071  0.836112  0.424440  1
  H  H261  1  0.276406  0.392231  0.397735  1
  H  H262  1  0.621692  0.892607  0.397481  1
  H  H263  1  0.995876  0.454997  0.367874  1
  H  H264  1  0.226325  0.329279  0.424138  1
  H  H265  1  0.558335  0.838769  0.423648  1
  H  H266  1  0.947160  0.394302  0.396546  1
  H  H267  1  0.676723  0.451067  0.365979  1
  H  H268  1  0.894071  0.336112  0.424440  1
  H  H269  1  0.621692  0.392607  0.397481  1
  H  H270  1  0.558335  0.338769  0.423648  1
  H  H271  1  0.254830  0.075978  0.371418  1
  H  H272  1  0.198032  0.016189  0.399864  1
  H  H273  1  0.912215  0.078324  0.368132  1
  H  H274  1  1.135609  0.954946  0.427606  1
  H  H275  1  0.852495  0.017343  0.398428  1
  H  H276  1  0.254830  0.575978  0.371418  1
  H  H277  1  0.576292  0.080346  0.367062  1
  H  H278  1  0.912949  0.929745  0.441971  1
  H  H279  1  0.198032  0.516189  0.399864  1
  H  H280  1  0.603103  0.002844  0.406239  1
  H  H281  1  0.912215  0.578324  0.368132  1
  H  H282  1  1.135609  0.454946  0.427606  1
  H  H283  1  0.504880  0.958711  0.427564  1
  H  H284  1  0.852495  0.517343  0.398428  1
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  H  H575  1  0.330238  0.158307  0.583238  1
  H  H576  1  0.283476  0.096851  0.612704  1
  H  H577  1  0.199780  0.720898  0.612920  1
  H  H578  1  1.150290  0.659107  0.642111  1
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  H  H580  1  1.097160  0.600030  0.672350  1
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  H  H582  1  0.199780  0.220898  0.612920  1
  H  H583  1  0.530468  0.722749  0.610599  1
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  H  H585  1  1.150290  0.159107  0.642111  1
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  H  H588  1  1.097160  0.100030  0.672350  1
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  H  H598  1  1.112061  0.345807  0.609441  1
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  H  H624  1  1.027565  -0.028910  0.610667  1
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  H  H629  1  0.260506  0.354517  0.670630  1
  H  H630  1  0.364876  -0.028327  0.611919  1
  H  H631  1  0.976648  0.959199  0.678451  1
  H  H632  1  1.085667  0.586518  0.624691  1
  H  H633  1  0.669565  0.964759  0.680220  1
  H  H634  1  1.032108  0.525508  0.652442  1
  H  H635  1  0.752501  0.589601  0.621341  1
  H  H636  1  0.976648  0.459199  0.678451  1
  H  H637  1  0.316223  0.963689  0.679453  1
  H  H638  1  0.704051  0.528721  0.648199  1
  H  H639  1  1.085667  0.086518  0.624691  1
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  H  H642  1  1.032108  0.025508  0.652442  1
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  H  H650  1  1.004238  0.713047  0.624934  1
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  H  H652  1  0.952783  0.653005  0.653017  1
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  H  H659  1  0.584388  0.589641  0.679020  1
  H  H660  1  0.952783  0.153005  0.653017  1
  H  H661  1  0.290973  0.653913  0.652164  1
  H  H662  1  0.670415  0.216687  0.621738  1
  H  H663  1  0.243779  0.588791  0.680801  1
  H  H664  1  0.622801  0.155564  0.648837  1
  H  H665  1  0.337258  0.214876  0.622570  1
  H  H666  1  0.290973  0.153913  0.652164  1
  H  H667  1  0.823877  0.213895  0.681663  1
  H  H668  1  0.919727  0.836234  0.623102  1
  H  H669  1  0.499969  0.214716  0.680045  1
  H  H670  1  0.870077  0.780105  0.654328  1
  H  H671  1  0.585622  0.840008  0.622217  1
  H  H672  1  0.823877  0.713895  0.681663  1
  H  H673  1  0.162689  0.215320  0.681219  1
  H  H674  1  0.535077  0.780247  0.649837  1
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  H  H682  1  0.535077  0.280247  0.649837  1
  H  H683  1  0.250633  0.339333  0.621544  1
  H  H684  1  0.207594  0.279560  0.651450  1
  H  H685  1  0.833729  0.960110  0.620793  1
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  H  H687  1  0.503535  0.964789  0.622594  1
  H  H688  1  0.729288  0.838621  0.680739  1
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  H  H690  1  0.833729  0.460110  0.620793  1
  H  H691  1  0.167268  0.963112  0.620664  1
  H  H692  1  0.407599  0.839281  0.679586  1
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  H  H694  1  1.116730  0.902927  0.648760  1
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  H  H696  1  0.729288  0.338621  0.680739  1
  H  H697  1  1.084515  0.839343  0.681384  1
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  H  H715  1  1.117228  0.933790  0.695235  1
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  H  H719  1  0.179463  0.479114  0.666015  1
  H  H720  1  1.117228  0.433790  0.695235  1
