# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.58762152
_cell_length_b   12.51932164
_cell_length_c   47.02470632
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.10089520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   9110.25786489
_cell_formula_units_Z   180
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  0.198064  0.284848  0.347820  1
  H  H2  1  0.531397  0.951515  0.347820  1
  H  H3  1  0.586898  0.376252  0.287214  1
  H  H4  1  0.864730  0.618182  0.347820  1
  H  H5  1  0.920231  0.042919  0.287214  1
  H  H6  1  0.892481  0.330550  0.317517  1
  H  H7  1  0.253565  0.709585  0.287214  1
  H  H8  1  0.225814  0.997217  0.317517  1
  H  H9  1  0.559147  0.663883  0.317517  1
  H  H10  1  0.055165  0.205166  0.321866  1
  H  H11  1  0.388498  0.871833  0.321866  1
  H  H12  1  0.360747  0.159464  0.352169  1
  H  H13  1  0.721831  0.538499  0.321866  1
  H  H14  1  0.694081  0.826131  0.352169  1
  H  H15  1  0.749582  0.250868  0.291563  1
  H  H16  1  0.027414  0.492797  0.352169  1
  H  H17  1  0.082915  0.917534  0.291563  1
  H  H18  1  0.416248  0.584201  0.291563  1
  H  H19  1  0.389799  0.547470  0.284196  1
  H  H20  1  0.723132  0.214137  0.284196  1
  H  H21  1  0.695382  0.501768  0.314499  1
  H  H22  1  0.056466  0.880803  0.284196  1
  H  H23  1  0.028715  0.168435  0.314499  1
  H  H24  1  0.000965  0.456066  0.344802  1
  H  H25  1  0.362049  0.835101  0.314499  1
  H  H26  1  0.334298  0.122733  0.344802  1
  H  H27  1  0.667631  0.789400  0.344802  1
  H  H28  1  0.163649  0.330682  0.349152  1
  H  H29  1  0.496982  0.997349  0.349152  1
  H  H30  1  0.552483  0.422086  0.288546  1
  H  H31  1  0.830315  0.664015  0.349152  1
  H  H32  1  0.885816  0.088752  0.288546  1
  H  H33  1  0.858066  0.376384  0.318849  1
  H  H34  1  0.219150  0.755419  0.288546  1
  H  H35  1  0.191399  0.043051  0.318849  1
  H  H36  1  0.524732  0.709717  0.318849  1
  H  H37  1  0.086898  0.376252  0.287214  1
  H  H38  1  0.420231  0.042919  0.287214  1
  H  H39  1  0.392481  0.330550  0.317517  1
  H  H40  1  0.753565  0.709585  0.287214  1
  H  H41  1  0.725814  0.997217  0.317517  1
  H  H42  1  0.698064  0.284848  0.347820  1
  H  H43  1  0.059147  0.663883  0.317517  1
  H  H44  1  0.031397  0.951515  0.347820  1
  H  H45  1  0.364730  0.618182  0.347820  1
  H  H46  1  0.249582  0.250868  0.291563  1
  H  H47  1  0.582915  0.917534  0.291563  1
  H  H48  1  0.555165  0.205166  0.321866  1
  H  H49  1  0.916248  0.584201  0.291563  1
  H  H50  1  0.888498  0.871833  0.321866  1
  H  H51  1  0.860747  0.159464  0.352169  1
  H  H52  1  0.221831  0.538499  0.321866  1
  H  H53  1  0.194081  0.826131  0.352169  1
  H  H54  1  0.527414  0.492797  0.352169  1
  H  H55  1  0.195382  0.501768  0.314499  1
  H  H56  1  0.528715  0.168435  0.314499  1
  H  H57  1  0.500965  0.456066  0.344802  1
  H  H58  1  0.862049  0.835101  0.314499  1
  H  H59  1  0.834298  0.122733  0.344802  1
  H  H60  1  0.889799  0.547470  0.284196  1
  H  H61  1  0.167631  0.789400  0.344802  1
  H  H62  1  0.223132  0.214137  0.284196  1
  H  H63  1  0.556466  0.880803  0.284196  1
  H  H64  1  0.358066  0.376384  0.318849  1
  H  H65  1  0.691399  0.043051  0.318849  1
  H  H66  1  0.663649  0.330682  0.349152  1
  H  H67  1  0.024732  0.709717  0.318849  1
  H  H68  1  0.996982  0.997349  0.349152  1
  H  H69  1  0.052483  0.422086  0.288546  1
  H  H70  1  0.330315  0.664015  0.349152  1
  H  H71  1  0.385816  0.088752  0.288546  1
  H  H72  1  0.719150  0.755419  0.288546  1
  H  H73  1  0.114812  0.147743  0.438729  1
  H  H74  1  0.448145  0.814409  0.438729  1
  H  H75  1  0.503646  0.239146  0.378123  1
  H  H76  1  0.781479  0.481076  0.438729  1
  H  H77  1  0.836980  0.905813  0.378123  1
  H  H78  1  0.809229  0.193444  0.408426  1
  H  H79  1  0.170313  0.572480  0.378123  1
  H  H80  1  0.142562  0.860111  0.408426  1
  H  H81  1  0.475896  0.526778  0.408426  1
  H  H82  1  0.971913  0.068060  0.412775  1
  H  H83  1  0.305246  0.734727  0.412775  1
  H  H84  1  0.277496  0.022358  0.443079  1
  H  H85  1  0.638580  0.401394  0.412775  1
  H  H86  1  0.610829  0.689025  0.443079  1
  H  H87  1  0.666330  0.113762  0.382472  1
  H  H88  1  0.944162  0.355692  0.443079  1
  H  H89  1  0.999663  0.780429  0.382472  1
  H  H90  1  0.332997  0.447095  0.382472  1
  H  H91  1  0.306548  0.410364  0.375105  1
  H  H92  1  0.639881  0.077031  0.375105  1
  H  H93  1  0.612130  0.364662  0.405408  1
  H  H94  1  0.973214  0.743698  0.375105  1
  H  H95  1  0.945464  0.031329  0.405408  1
  H  H96  1  0.917713  0.318961  0.435711  1
  H  H97  1  0.278797  0.697996  0.405408  1
  H  H98  1  0.251047  0.985627  0.435711  1
  H  H99  1  0.584380  0.652294  0.435711  1
  H  H100  1  0.080397  0.193576  0.440061  1
  H  H101  1  0.413730  0.860243  0.440061  1
  H  H102  1  0.469231  0.284980  0.379455  1
  H  H103  1  0.747064  0.526910  0.440061  1
  H  H104  1  0.802565  0.951647  0.379455  1
  H  H105  1  0.774814  0.239278  0.409758  1
  H  H106  1  0.135898  0.618313  0.379455  1
  H  H107  1  0.108148  0.905945  0.409758  1
  H  H108  1  0.441481  0.572611  0.409758  1
  H  H109  1  0.003646  0.239146  0.378123  1
  H  H110  1  0.336980  0.905813  0.378123  1
  H  H111  1  0.309229  0.193444  0.408426  1
  H  H112  1  0.670313  0.572480  0.378123  1
  H  H113  1  0.642562  0.860111  0.408426  1
  H  H114  1  0.614812  0.147743  0.438729  1
  H  H115  1  0.975896  0.526778  0.408426  1
  H  H116  1  0.948145  0.814409  0.438729  1
  H  H117  1  0.281479  0.481076  0.438729  1
  H  H118  1  0.166330  0.113762  0.382472  1
  H  H119  1  0.499663  0.780429  0.382472  1
  H  H120  1  0.471913  0.068060  0.412775  1
  H  H121  1  0.832997  0.447095  0.382472  1
  H  H122  1  0.805246  0.734727  0.412775  1
  H  H123  1  0.777496  0.022358  0.443079  1
  H  H124  1  0.138580  0.401394  0.412775  1
  H  H125  1  0.110829  0.689025  0.443079  1
  H  H126  1  0.444162  0.355692  0.443079  1
  H  H127  1  0.112130  0.364662  0.405408  1
  H  H128  1  0.445464  0.031329  0.405408  1
  H  H129  1  0.417713  0.318961  0.435711  1
  H  H130  1  0.778797  0.697996  0.405408  1
  H  H131  1  0.751047  0.985627  0.435711  1
  H  H132  1  0.806548  0.410364  0.375105  1
  H  H133  1  0.084380  0.652294  0.435711  1
  H  H134  1  0.139881  0.077031  0.375105  1
  H  H135  1  0.473214  0.743698  0.375105  1
  H  H136  1  0.274814  0.239278  0.409758  1
  H  H137  1  0.608148  0.905945  0.409758  1
  H  H138  1  0.580397  0.193576  0.440061  1
  H  H139  1  0.941481  0.572611  0.409758  1
  H  H140  1  0.913730  0.860243  0.440061  1
  H  H141  1  0.969231  0.284980  0.379455  1
  H  H142  1  0.247064  0.526910  0.440061  1
  H  H143  1  0.302565  0.951647  0.379455  1
  H  H144  1  0.635898  0.618313  0.379455  1
  H  H145  1  0.031560  0.010637  0.529638  1
  H  H146  1  0.364894  0.677304  0.529638  1
  H  H147  1  0.420395  0.102041  0.469032  1
  H  H148  1  0.698227  0.343970  0.529638  1
  H  H149  1  0.753728  0.768707  0.469032  1
  H  H150  1  0.725978  0.056339  0.499335  1
  H  H151  1  0.087061  0.435374  0.469032  1
  H  H152  1  0.059311  0.723005  0.499335  1
  H  H153  1  0.392644  0.389672  0.499335  1
  H  H154  1  0.888661  0.930955  0.503685  1
  H  H155  1  0.221995  0.597621  0.503685  1
  H  H156  1  0.194244  0.885253  0.533988  1
  H  H157  1  0.555328  0.264288  0.503685  1
  H  H158  1  0.527577  0.551919  0.533988  1
  H  H159  1  0.583079  0.976656  0.473382  1
  H  H160  1  0.860911  0.218586  0.533988  1
  H  H161  1  0.916412  0.643323  0.473382  1
  H  H162  1  0.249745  0.309990  0.473382  1
  H  H163  1  0.223296  0.273259  0.466014  1
  H  H164  1  0.556629  0.939925  0.466014  1
  H  H165  1  0.528879  0.227557  0.496318  1
  H  H166  1  0.889963  0.606592  0.466014  1
  H  H167  1  0.862212  0.894223  0.496318  1
  H  H168  1  0.834462  0.181855  0.526621  1
  H  H169  1  0.195545  0.560890  0.496318  1
  H  H170  1  0.167795  0.848522  0.526621  1
  H  H171  1  0.501128  0.515188  0.526621  1
  H  H172  1  0.997145  0.056471  0.530970  1
  H  H173  1  0.330479  0.723137  0.530970  1
  H  H174  1  0.385980  0.147874  0.470364  1
  H  H175  1  0.663812  0.389804  0.530970  1
  H  H176  1  0.719313  0.814541  0.470364  1
  H  H177  1  0.691563  0.102172  0.500667  1
  H  H178  1  0.052646  0.481208  0.470364  1
  H  H179  1  0.024896  0.768839  0.500667  1
  H  H180  1  0.358229  0.435506  0.500667  1
  H  H181  1  0.920395  0.102041  0.469032  1
  H  H182  1  0.253728  0.768707  0.469032  1
  H  H183  1  0.225978  0.056339  0.499335  1
  H  H184  1  0.587061  0.435374  0.469032  1
  H  H185  1  0.559311  0.723005  0.499335  1
  H  H186  1  0.531560  0.010637  0.529638  1
  H  H187  1  0.892644  0.389672  0.499335  1
  H  H188  1  0.864894  0.677304  0.529638  1
  H  H189  1  0.198227  0.343970  0.529638  1
  H  H190  1  0.083079  0.976656  0.473382  1
  H  H191  1  0.416412  0.643323  0.473382  1
  H  H192  1  0.388661  0.930955  0.503685  1
  H  H193  1  0.749745  0.309990  0.473382  1
  H  H194  1  0.721995  0.597621  0.503685  1
  H  H195  1  0.694244  0.885253  0.533988  1
  H  H196  1  0.055328  0.264288  0.503685  1
  H  H197  1  0.027577  0.551919  0.533988  1
  H  H198  1  0.360911  0.218586  0.533988  1
  H  H199  1  0.028879  0.227557  0.496318  1
  H  H200  1  0.362212  0.894223  0.496318  1
  H  H201  1  0.334462  0.181855  0.526621  1
  H  H202  1  0.695545  0.560890  0.496318  1
  H  H203  1  0.667795  0.848522  0.526621  1
  H  H204  1  0.723296  0.273259  0.466014  1
  H  H205  1  0.001128  0.515188  0.526621  1
  H  H206  1  0.056629  0.939925  0.466014  1
  H  H207  1  0.389963  0.606592  0.466014  1
  H  H208  1  0.191563  0.102172  0.500667  1
  H  H209  1  0.524896  0.768839  0.500667  1
  H  H210  1  0.497145  0.056471  0.530970  1
  H  H211  1  0.858229  0.435506  0.500667  1
  H  H212  1  0.830479  0.723137  0.530970  1
  H  H213  1  0.885980  0.147874  0.470364  1
  H  H214  1  0.163812  0.389804  0.530970  1
  H  H215  1  0.219313  0.814541  0.470364  1
  H  H216  1  0.552646  0.481208  0.470364  1
  H  H217  1  0.948309  0.873531  0.620547  1
  H  H218  1  0.281642  0.540198  0.620547  1
  H  H219  1  0.337143  0.964935  0.559941  1
  H  H220  1  0.614975  0.206865  0.620547  1
  H  H221  1  0.670476  0.631602  0.559941  1
  H  H222  1  0.642726  0.919233  0.590244  1
  H  H223  1  0.003810  0.298268  0.559941  1
  H  H224  1  0.976059  0.585900  0.590244  1
  H  H225  1  0.309393  0.252566  0.590244  1
  H  H226  1  0.805410  0.793849  0.594594  1
  H  H227  1  0.138743  0.460516  0.594594  1
  H  H228  1  0.110993  0.748147  0.624897  1
  H  H229  1  0.472076  0.127182  0.594594  1
  H  H230  1  0.444326  0.414814  0.624897  1
  H  H231  1  0.499827  0.839551  0.564291  1
  H  H232  1  0.777659  0.081480  0.624897  1
  H  H233  1  0.833160  0.506217  0.564291  1
  H  H234  1  0.166494  0.172884  0.564291  1
  H  H235  1  0.140044  0.136153  0.556924  1
  H  H236  1  0.473378  0.802820  0.556924  1
  H  H237  1  0.445627  0.090451  0.587227  1
  H  H238  1  0.806711  0.469486  0.556924  1
  H  H239  1  0.778961  0.757118  0.587227  1
  H  H240  1  0.751210  0.044749  0.617530  1
  H  H241  1  0.112294  0.423784  0.587227  1
  H  H242  1  0.084543  0.711416  0.617530  1
  H  H243  1  0.417877  0.378083  0.617530  1
  H  H244  1  0.913894  0.919365  0.621879  1
  H  H245  1  0.247227  0.586032  0.621879  1
  H  H246  1  0.302728  0.010769  0.561273  1
  H  H247  1  0.580560  0.252698  0.621879  1
  H  H248  1  0.636062  0.677435  0.561273  1
  H  H249  1  0.608311  0.965067  0.591576  1
  H  H250  1  0.969395  0.344102  0.561273  1
  H  H251  1  0.941644  0.631733  0.591576  1
  H  H252  1  0.274978  0.298400  0.591576  1
  H  H253  1  0.837143  0.964935  0.559941  1
  H  H254  1  0.170476  0.631602  0.559941  1
  H  H255  1  0.142726  0.919233  0.590244  1
  H  H256  1  0.503810  0.298268  0.559941  1
  H  H257  1  0.476059  0.585900  0.590244  1
  H  H258  1  0.448309  0.873531  0.620547  1
  H  H259  1  0.809393  0.252566  0.590244  1
  H  H260  1  0.781642  0.540198  0.620547  1
  H  H261  1  0.114975  0.206865  0.620547  1
  H  H262  1  0.999827  0.839551  0.564291  1
  H  H263  1  0.333160  0.506217  0.564291  1
  H  H264  1  0.305410  0.793849  0.594594  1
  H  H265  1  0.666494  0.172884  0.564291  1
  H  H266  1  0.638743  0.460516  0.594594  1
  H  H267  1  0.610993  0.748147  0.624897  1
  H  H268  1  0.972076  0.127182  0.594594  1
  H  H269  1  0.944326  0.414814  0.624897  1
  H  H270  1  0.277659  0.081480  0.624897  1
  H  H271  1  0.945627  0.090451  0.587227  1
  H  H272  1  0.278961  0.757118  0.587227  1
  H  H273  1  0.251210  0.044749  0.617530  1
  H  H274  1  0.612294  0.423784  0.587227  1
  H  H275  1  0.584543  0.711416  0.617530  1
  H  H276  1  0.640044  0.136153  0.556924  1
  H  H277  1  0.917877  0.378083  0.617530  1
  H  H278  1  0.973378  0.802820  0.556924  1
  H  H279  1  0.306711  0.469486  0.556924  1
  H  H280  1  0.108311  0.965067  0.591576  1
  H  H281  1  0.441644  0.631733  0.591576  1
  H  H282  1  0.413894  0.919365  0.621879  1
  H  H283  1  0.774978  0.298400  0.591576  1
  H  H284  1  0.747227  0.586032  0.621879  1
  H  H285  1  0.802728  0.010769  0.561273  1
  H  H286  1  0.080560  0.252698  0.621879  1
  H  H287  1  0.136062  0.677435  0.561273  1
  H  H288  1  0.469395  0.344102  0.561273  1
  H  H289  1  0.865057  0.736426  0.711457  1
  H  H290  1  0.198390  0.403092  0.711457  1
  H  H291  1  0.253892  0.827829  0.650850  1
  H  H292  1  0.531724  0.069759  0.711457  1
  H  H293  1  0.587225  0.494496  0.650850  1
  H  H294  1  0.559474  0.782127  0.681154  1
  H  H295  1  0.920558  0.161163  0.650850  1
  H  H296  1  0.892808  0.448794  0.681154  1
  H  H297  1  0.226141  0.115461  0.681154  1
  H  H298  1  0.722158  0.656743  0.685503  1
  H  H299  1  0.055491  0.323410  0.685503  1
  H  H300  1  0.027741  0.611041  0.715806  1
  H  H301  1  0.388825  0.990077  0.685503  1
  H  H302  1  0.361074  0.277708  0.715806  1
  H  H303  1  0.416575  0.702445  0.655200  1
  H  H304  1  0.694408  0.944375  0.715806  1
  H  H305  1  0.749909  0.369112  0.655200  1
  H  H306  1  0.083242  0.035778  0.655200  1
  H  H307  1  0.056793  0.999047  0.647833  1
  H  H308  1  0.390126  0.665714  0.647833  1
  H  H309  1  0.362376  0.953345  0.678136  1
  H  H310  1  0.723459  0.332381  0.647833  1
  H  H311  1  0.695709  0.620012  0.678136  1
  H  H312  1  0.667958  0.907643  0.708439  1
  H  H313  1  0.029042  0.286679  0.678136  1
  H  H314  1  0.001292  0.574310  0.708439  1
  H  H315  1  0.334625  0.240977  0.708439  1
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  H  H317  1  0.163976  0.448926  0.712788  1
  H  H318  1  0.219477  0.873663  0.652182  1
  H  H319  1  0.497309  0.115593  0.712788  1
  H  H320  1  0.552810  0.540330  0.652182  1
  H  H321  1  0.525059  0.827961  0.682485  1
  H  H322  1  0.886143  0.206996  0.652182  1
  H  H323  1  0.858393  0.494628  0.682485  1
  H  H324  1  0.191726  0.161294  0.682485  1
  H  H325  1  0.753892  0.827829  0.650850  1
  H  H326  1  0.087225  0.494496  0.650850  1
  H  H327  1  0.059474  0.782127  0.681154  1
  H  H328  1  0.420558  0.161163  0.650850  1
  H  H329  1  0.392808  0.448794  0.681154  1
  H  H330  1  0.365057  0.736426  0.711457  1
  H  H331  1  0.726141  0.115461  0.681154  1
  H  H332  1  0.698390  0.403092  0.711457  1
  H  H333  1  0.031724  0.069759  0.711457  1
  H  H334  1  0.916575  0.702445  0.655200  1
  H  H335  1  0.249909  0.369112  0.655200  1
  H  H336  1  0.222158  0.656743  0.685503  1
  H  H337  1  0.583242  0.035778  0.655200  1
  H  H338  1  0.555491  0.323410  0.685503  1
  H  H339  1  0.527741  0.611041  0.715806  1
  H  H340  1  0.888825  0.990077  0.685503  1
  H  H341  1  0.861074  0.277708  0.715806  1
  H  H342  1  0.194408  0.944375  0.715806  1
  H  H343  1  0.862376  0.953345  0.678136  1
  H  H344  1  0.195709  0.620012  0.678136  1
  H  H345  1  0.167958  0.907643  0.708439  1
  H  H346  1  0.529042  0.286679  0.678136  1
  H  H347  1  0.501292  0.574310  0.708439  1
  H  H348  1  0.556793  0.999047  0.647833  1
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  H  H352  1  0.025059  0.827961  0.682485  1
  H  H353  1  0.358393  0.494628  0.682485  1
  H  H354  1  0.330642  0.782259  0.712788  1
  H  H355  1  0.691726  0.161294  0.682485  1
  H  H356  1  0.663976  0.448926  0.712788  1
  H  H357  1  0.719477  0.873663  0.652182  1
  H  H358  1  0.997309  0.115593  0.712788  1
  H  H359  1  0.052810  0.540330  0.652182  1
  H  H360  1  0.386143  0.206996  0.652182  1
