# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.48993637
_cell_length_b   16.90582849
_cell_length_c   47.44036981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.40460524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H528
_cell_volume   10634.7163503
_cell_formula_units_Z   264
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  0.884376  0.061998  0.281768  1
  H  H2  1  0.551042  0.061998  0.281768  1
  H  H3  1  0.820978  0.653641  0.274164  1
  H  H4  1  0.217709  0.061998  0.281768  1
  H  H5  1  0.487645  0.653641  0.274164  1
  H  H6  1  1.154312  0.653641  0.274164  1
  H  H7  1  0.936256  0.193230  0.281257  1
  H  H8  1  0.602923  0.193230  0.281257  1
  H  H9  1  0.896999  0.681560  0.315282  1
  H  H10  1  0.269590  0.193230  0.281257  1
  H  H11  1  0.563665  0.681560  0.315282  1
  H  H12  1  0.230332  0.681560  0.315282  1
  H  H13  1  0.902840  0.331446  0.275447  1
  H  H14  1  0.569506  0.331446  0.275447  1
  H  H15  1  0.783623  0.798373  0.297679  1
  H  H16  1  0.236173  0.331446  0.275447  1
  H  H17  1  0.450289  0.798373  0.297679  1
  H  H18  1  1.116956  0.798373  0.297679  1
  H  H19  1  0.797432  0.418669  0.307265  1
  H  H20  1  0.464099  0.418669  0.307265  1
  H  H21  1  0.833106  0.931025  0.289622  1
  H  H22  1  1.130766  0.418669  0.307265  1
  H  H23  1  0.499773  0.931025  0.289622  1
  H  H24  1  0.166440  0.931025  0.289622  1
  H  H25  1  0.717707  0.062188  0.281772  1
  H  H26  1  0.384373  0.062188  0.281772  1
  H  H27  1  0.645906  0.689516  0.273000  1
  H  H28  1  1.051040  0.062188  0.281772  1
  H  H29  1  0.312573  0.689516  0.273000  1
  H  H30  1  0.979239  0.689516  0.273000  1
  H  H31  1  0.769623  0.193131  0.281264  1
  H  H32  1  0.436290  0.193131  0.281264  1
  H  H33  1  0.730224  0.681393  0.315302  1
  H  H34  1  1.102956  0.193131  0.281264  1
  H  H35  1  0.396891  0.681393  0.315302  1
  H  H36  1  1.063557  0.681393  0.315302  1
  H  H37  1  0.736202  0.331202  0.275369  1
  H  H38  1  0.402869  0.331202  0.275369  1
  H  H39  1  0.615301  0.806016  0.300591  1
  H  H40  1  1.069535  0.331202  0.275369  1
  H  H41  1  0.281968  0.806016  0.300591  1
  H  H42  1  0.948635  0.806016  0.300591  1
  H  H43  1  0.631154  0.419149  0.307246  1
  H  H44  1  0.297821  0.419149  0.307246  1
  H  H45  1  0.666884  0.931754  0.289629  1
  H  H46  1  0.964487  0.419149  0.307246  1
  H  H47  1  0.333551  0.931754  0.289629  1
  H  H48  1  1.000218  0.931754  0.289629  1
  H  H49  1  0.732717  0.007847  0.325237  1
  H  H50  1  0.399383  0.007847  0.325237  1
  H  H51  1  0.846376  0.550016  0.308119  1
  H  H52  1  1.066050  0.007847  0.325237  1
  H  H53  1  0.513042  0.550016  0.308119  1
  H  H54  1  0.179709  0.550016  0.308119  1
  H  H55  1  0.864660  0.143774  0.321279  1
  H  H56  1  0.531327  0.143774  0.321279  1
  H  H57  1  0.829090  0.618826  0.350840  1
  H  H58  1  0.197993  0.143774  0.321279  1
  H  H59  1  0.495757  0.618826  0.350840  1
  H  H60  1  1.162424  0.618826  0.350840  1
  H  H61  1  0.831881  0.278546  0.315180  1
  H  H62  1  0.498548  0.278546  0.315180  1
  H  H63  1  0.792906  0.764053  0.345903  1
  H  H64  1  0.165215  0.278546  0.315180  1
  H  H65  1  0.459572  0.764053  0.345903  1
  H  H66  1  1.126239  0.764053  0.345903  1
  H  H67  1  0.728158  0.361277  0.347399  1
  H  H68  1  0.394824  0.361277  0.347399  1
  H  H69  1  0.680010  0.884244  0.334557  1
  H  H70  1  1.061491  0.361277  0.347399  1
  H  H71  1  0.346677  0.884244  0.334557  1
  H  H72  1  1.013344  0.884244  0.334557  1
  H  H73  1  0.566062  0.007507  0.325216  1
  H  H74  1  0.232729  0.007507  0.325216  1
  H  H75  1  0.678372  0.555992  0.305272  1
  H  H76  1  0.899395  0.007507  0.325216  1
  H  H77  1  0.345039  0.555992  0.305272  1
  H  H78  1  1.011706  0.555992  0.305272  1
  H  H79  1  0.697915  0.143956  0.321288  1
  H  H80  1  0.364581  0.143956  0.321288  1
  H  H81  1  0.662774  0.617420  0.350426  1
  H  H82  1  1.031248  0.143956  0.321288  1
  H  H83  1  0.329441  0.617420  0.350426  1
  H  H84  1  0.996107  0.617420  0.350426  1
  H  H85  1  0.665207  0.278753  0.315171  1
  H  H86  1  0.331874  0.278753  0.315171  1
  H  H87  1  0.626603  0.762882  0.346588  1
  H  H88  1  0.998540  0.278753  0.315171  1
  H  H89  1  0.293270  0.762882  0.346588  1
  H  H90  1  0.959936  0.762882  0.346588  1
  H  H91  1  0.561447  0.361514  0.347319  1
  H  H92  1  0.228113  0.361514  0.347319  1
  H  H93  1  0.512437  0.884194  0.334549  1
  H  H94  1  0.894780  0.361514  0.347319  1
  H  H95  1  0.179103  0.884194  0.334549  1
  H  H96  1  0.845770  0.884194  0.334549  1
  H  H97  1  0.743643  -0.037536  0.369691  1
  H  H98  1  0.410310  -0.037536  0.369691  1
  H  H99  1  0.776326  0.492254  0.346869  1
  H  H100  1  1.076977  -0.037536  0.369691  1
  H  H101  1  0.442992  0.492254  0.346869  1
  H  H102  1  1.109659  0.492254  0.346869  1
  H  H103  1  0.795932  0.086644  0.359646  1
  H  H104  1  0.462599  0.086644  0.359646  1
  H  H105  1  0.759315  0.562554  0.388375  1
  H  H106  1  1.129266  0.086644  0.359646  1
  H  H107  1  0.425982  0.562554  0.388375  1
  H  H108  1  1.092648  0.562554  0.388375  1
  H  H109  1  0.761685  0.225290  0.355136  1
  H  H110  1  0.428352  0.225290  0.355136  1
  H  H111  1  0.725487  0.701020  0.383464  1
  H  H112  1  1.095019  0.225290  0.355136  1
  H  H113  1  0.392154  0.701020  0.383464  1
  H  H114  1  1.058820  0.701020  0.383464  1
  H  H115  1  0.657268  0.306451  0.389450  1
  H  H116  1  0.323934  0.306451  0.389450  1
  H  H117  1  0.690912  0.840074  0.380138  1
  H  H118  1  0.990601  0.306451  0.389450  1
  H  H119  1  0.357578  0.840074  0.380138  1
  H  H120  1  1.024245  0.840074  0.380138  1
  H  H121  1  0.577012  -0.037694  0.369658  1
  H  H122  1  0.243678  -0.037694  0.369658  1
  H  H123  1  0.610507  0.492278  0.346893  1
  H  H124  1  0.910345  -0.037694  0.369658  1
  H  H125  1  0.277174  0.492278  0.346893  1
  H  H126  1  0.943841  0.492278  0.346893  1
  H  H127  1  0.629218  0.086657  0.359642  1
  H  H128  1  0.295884  0.086657  0.359642  1
  H  H129  1  0.592659  0.562596  0.388360  1
  H  H130  1  0.962551  0.086657  0.359642  1
  H  H131  1  0.259325  0.562596  0.388360  1
  H  H132  1  0.925992  0.562596  0.388360  1
  H  H133  1  0.594984  0.225417  0.355132  1
  H  H134  1  0.261651  0.225417  0.355132  1
  H  H135  1  0.558703  0.701034  0.383483  1
  H  H136  1  0.928317  0.225417  0.355132  1
  H  H137  1  0.225370  0.701034  0.383483  1
  H  H138  1  0.892036  0.701034  0.383483  1
  H  H139  1  0.490620  0.306458  0.389448  1
  H  H140  1  1.157287  0.306458  0.389448  1
  H  H141  1  0.524187  0.840034  0.380111  1
  H  H142  1  0.823953  0.306458  0.389448  1
  H  H143  1  0.190854  0.840034  0.380111  1
  H  H144  1  0.857520  0.840034  0.380111  1
  H  H145  1  0.755783  0.916861  0.414750  1
  H  H146  1  0.422450  0.916861  0.414750  1
  H  H147  1  0.706651  0.435934  0.386187  1
  H  H148  1  1.089116  0.916861  0.414750  1
  H  H149  1  0.373318  0.435934  0.386187  1
  H  H150  1  1.039985  0.435934  0.386187  1
  H  H151  1  0.808061  0.040487  0.404394  1
  H  H152  1  0.474727  0.040487  0.404394  1
  H  H153  1  0.689310  0.506997  0.426628  1
  H  H154  1  1.141394  0.040487  0.404394  1
  H  H155  1  0.355977  0.506997  0.426628  1
  H  H156  1  1.022644  0.506997  0.426628  1
  H  H157  1  0.693229  0.165311  0.393902  1
  H  H158  1  0.359895  0.165311  0.393902  1
  H  H159  1  0.656177  0.642924  0.421853  1
  H  H160  1  1.026562  0.165311  0.393902  1
  H  H161  1  0.322844  0.642924  0.421853  1
  H  H162  1  0.989510  0.642924  0.421853  1
  H  H163  1  0.592407  0.237834  0.429181  1
  H  H164  1  0.259074  0.237834  0.429181  1
  H  H165  1  0.623170  0.778788  0.417922  1
  H  H166  1  0.925740  0.237834  0.429181  1
  H  H167  1  0.289837  0.778788  0.417922  1
  H  H168  1  0.956504  0.778788  0.417922  1
  H  H169  1  0.589102  0.916864  0.414750  1
  H  H170  1  0.255769  0.916864  0.414750  1
  H  H171  1  0.539948  0.436048  0.386115  1
  H  H172  1  0.922436  0.916864  0.414750  1
  H  H173  1  0.206614  0.436048  0.386115  1
  H  H174  1  0.873281  0.436048  0.386115  1
  H  H175  1  0.641376  0.040482  0.404393  1
  H  H176  1  0.308043  0.040482  0.404393  1
  H  H177  1  0.522658  0.506990  0.426623  1
  H  H178  1  0.974709  0.040482  0.404393  1
  H  H179  1  0.189325  0.506990  0.426623  1
  H  H180  1  0.855991  0.506990  0.426623  1
  H  H181  1  0.526573  0.165320  0.393906  1
  H  H182  1  0.193240  0.165320  0.393906  1
  H  H183  1  0.489509  0.642910  0.421860  1
  H  H184  1  0.859906  0.165320  0.393906  1
  H  H185  1  1.156175  0.642910  0.421860  1
  H  H186  1  0.822842  0.642910  0.421860  1
  H  H187  1  0.425745  0.237812  0.429178  1
  H  H188  1  1.092411  0.237812  0.429178  1
  H  H189  1  0.456504  0.778790  0.417936  1
  H  H190  1  0.759078  0.237812  0.429178  1
  H  H191  1  1.123170  0.778790  0.417936  1
  H  H192  1  0.789837  0.778790  0.417936  1
  H  H193  1  0.688065  0.854933  0.452772  1
  H  H194  1  0.354731  0.854933  0.452772  1
  H  H195  1  0.724639  0.372196  0.427966  1
  H  H196  1  1.021398  0.854933  0.452772  1
  H  H197  1  0.391305  0.372196  0.427966  1
  H  H198  1  1.057972  0.372196  0.427966  1
  H  H199  1  0.653770  -0.007213  0.449457  1
  H  H200  1  0.320437  -0.007213  0.449457  1
  H  H201  1  0.621633  0.445818  0.464039  1
  H  H202  1  0.987103  -0.007213  0.449457  1
  H  H203  1  0.288299  0.445818  0.464039  1
  H  H204  1  0.954966  0.445818  0.464039  1
  H  H205  1  0.705901  0.115777  0.439269  1
  H  H206  1  0.372568  0.115777  0.439269  1
  H  H207  1  0.588038  0.582846  0.460605  1
  H  H208  1  1.039234  0.115777  0.439269  1
  H  H209  1  0.254704  0.582846  0.460605  1
  H  H210  1  0.921371  0.582846  0.460605  1
  H  H211  1  0.603990  0.189305  0.474923  1
  H  H212  1  0.270657  0.189305  0.474923  1
  H  H213  1  0.554586  0.718731  0.456509  1
  H  H214  1  0.937324  0.189305  0.474923  1
  H  H215  1  0.221252  0.718731  0.456509  1
  H  H216  1  0.887919  0.718731  0.456509  1
  H  H217  1  0.521403  0.854933  0.452773  1
  H  H218  1  0.188070  0.854933  0.452773  1
  H  H219  1  0.557961  0.372243  0.427929  1
  H  H220  1  0.854736  0.854933  0.452773  1
  H  H221  1  0.224628  0.372243  0.427929  1
  H  H222  1  0.891294  0.372243  0.427929  1
  H  H223  1  0.487101  -0.007212  0.449457  1
  H  H224  1  1.153767  -0.007212  0.449457  1
  H  H225  1  0.454975  0.445822  0.464038  1
  H  H226  1  0.820434  -0.007212  0.449457  1
  H  H227  1  1.121641  0.445822  0.464038  1
  H  H228  1  0.788308  0.445822  0.464038  1
  H  H229  1  0.539237  0.115778  0.439271  1
  H  H230  1  0.205904  0.115778  0.439271  1
  H  H231  1  0.421370  0.582845  0.460604  1
  H  H232  1  0.872571  0.115778  0.439271  1
  H  H233  1  1.088037  0.582845  0.460604  1
  H  H234  1  0.754704  0.582845  0.460604  1
  H  H235  1  0.437322  0.189309  0.474923  1
  H  H236  1  1.103989  0.189309  0.474923  1
  H  H237  1  0.387913  0.718732  0.456509  1
  H  H238  1  0.770656  0.189309  0.474923  1
  H  H239  1  1.054580  0.718732  0.456509  1
  H  H240  1  0.721246  0.718732  0.456509  1
  H  H241  1  0.619679  0.793906  0.491145  1
  H  H242  1  0.286346  0.793906  0.491145  1
  H  H243  1  0.656947  0.309813  0.466032  1
  H  H244  1  0.953012  0.793906  0.491145  1
  H  H245  1  0.323614  0.309813  0.466032  1
  H  H246  1  0.990280  0.309813  0.466032  1
  H  H247  1  0.586340  0.930394  0.487520  1
  H  H248  1  0.253007  0.930394  0.487520  1
  H  H249  1  0.554440  0.383806  0.501851  1
  H  H250  1  0.919673  0.930394  0.487520  1
  H  H251  1  0.221107  0.383806  0.501851  1
  H  H252  1  0.887773  0.383806  0.501851  1
  H  H253  1  0.551668  0.067869  0.484396  1
  H  H254  1  0.218335  0.067869  0.484396  1
  H  H255  1  0.519769  0.521282  0.498726  1
  H  H256  1  0.885001  0.067869  0.484396  1
  H  H257  1  0.186436  0.521282  0.498726  1
  H  H258  1  0.853102  0.521282  0.498726  1
  H  H259  1  0.449149  0.141860  0.520215  1
  H  H260  1  1.115815  0.141860  0.520215  1
  H  H261  1  0.486430  0.657769  0.495101  1
  H  H262  1  0.782482  0.141860  0.520215  1
  H  H263  1  1.153097  0.657769  0.495101  1
  H  H264  1  0.819763  0.657769  0.495101  1
  H  H265  1  0.453013  0.793906  0.491145  1
  H  H266  1  1.119679  0.793906  0.491145  1
  H  H267  1  0.490294  0.309815  0.466031  1
  H  H268  1  0.786346  0.793906  0.491145  1
  H  H269  1  1.156960  0.309815  0.466031  1
  H  H270  1  0.823627  0.309815  0.466031  1
  H  H271  1  0.419673  0.930393  0.487519  1
  H  H272  1  1.086340  0.930393  0.487519  1
  H  H273  1  0.387774  0.383806  0.501849  1
  H  H274  1  0.753007  0.930393  0.487519  1
  H  H275  1  1.054441  0.383806  0.501849  1
  H  H276  1  0.721108  0.383806  0.501849  1
  H  H277  1  0.385003  0.067868  0.484394  1
  H  H278  1  1.051669  0.067868  0.484394  1
  H  H279  1  0.353102  0.521280  0.498725  1
  H  H280  1  0.718336  0.067868  0.484394  1
  H  H281  1  1.019769  0.521280  0.498725  1
  H  H282  1  0.686436  0.521280  0.498725  1
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  H  H365  1  1.013702  0.213840  0.557064  1
  H  H366  1  0.680369  0.213840  0.557064  1
  H  H367  1  0.283265  0.808750  0.564393  1
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  H  H373  1  0.250132  0.944678  0.559618  1
  H  H374  1  0.916799  0.944678  0.559618  1
  H  H375  1  1.131382  0.411188  0.581851  1
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  H  H377  1  0.798048  0.411188  0.581851  1
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  H  H379  1  0.232791  0.015740  0.600058  1
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  H  H381  1  0.183660  0.534814  0.571495  1
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  H  H384  1  0.516993  0.534814  0.571495  1
  H  H385  1  0.415255  0.611641  0.606134  1
  H  H386  1  1.081922  0.611641  0.606134  1
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  H  H389  1  1.115489  0.145217  0.596797  1
  H  H390  1  0.782156  0.145217  0.596797  1
  H  H391  1  0.380740  0.750640  0.602763  1
  H  H392  1  1.047406  0.750640  0.602763  1
  H  H393  1  0.344458  0.226258  0.631113  1
  H  H394  1  0.714073  0.750640  0.602763  1
  H  H395  1  1.011125  0.226258  0.631113  1
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  H  H397  1  0.346784  0.889078  0.597886  1
  H  H398  1  1.013450  0.889078  0.597886  1
  H  H399  1  0.310225  0.365017  0.626603  1
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  H  H403  1  0.328935  -0.040603  0.639352  1
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  H  H409  1  0.248531  0.611601  0.606108  1
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  H  H421  1  0.180127  0.889120  0.597871  1
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  H  H423  1  1.143510  0.365030  0.626600  1
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  H  H445  1  0.276668  0.834255  0.635819  1
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  H  H455  1  1.040047  0.444168  0.661030  1
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  H  H457  1  0.259432  0.567431  0.651688  1
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  H  H469  1  1.110352  0.832848  0.635405  1
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  H  H487  1  0.324141  0.645659  0.685654  1
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  H  H505  1  1.106336  0.520649  0.696623  1
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  H  H507  1  1.142010  0.033005  0.678980  1
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  H  H509  1  0.808677  0.033005  0.678980  1
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  H  H511  1  1.155820  0.653301  0.688566  1
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  H  H513  1  1.036603  0.120229  0.710798  1
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  H  H517  1  1.042444  0.770114  0.670964  1
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  H  H519  1  1.003186  0.258445  0.704988  1
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  H  H523  1  1.118464  0.798034  0.712081  1
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  H  H525  1  1.055067  0.389676  0.704477  1
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  H  H527  1  0.721733  0.389676  0.704477  1
  H  H528  1  0.388400  0.389676  0.704477  1
