# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.95614470
_cell_length_b   17.41701089
_cell_length_c   17.23187265
_cell_angle_alpha   90.00000000
_cell_angle_beta   66.36904172
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H447
_cell_volume   4387.31570807
_cell_formula_units_Z   223
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  0.873792  -0.013136  0.133831  1
  H  H2  1  0.748382  0.048325  0.259458  1
  H  H3  1  0.623604  -0.014223  0.384111  1
  H  H4  1  0.498568  0.048275  0.509132  1
  H  H5  1  0.373531  -0.014223  0.634154  1
  H  H6  1  0.248753  0.048325  0.758806  1
  H  H7  1  0.123343  -0.013136  0.884433  1
  H  H8  1  -0.001432  0.073095  1.009132  1
  H  H9  1  0.872720  0.112062  0.135679  1
  H  H10  1  0.747718  0.173274  0.260367  1
  H  H11  1  0.623349  0.110773  0.384386  1
  H  H12  1  0.498568  0.173300  0.509132  1
  H  H13  1  0.373786  0.110773  0.633878  1
  H  H14  1  0.249417  0.173274  0.757897  1
  H  H15  1  0.124415  0.112062  0.882585  1
  H  H16  1  -0.001432  0.224572  1.009132  1
  H  H17  1  0.871169  0.236375  0.138637  1
  H  H18  1  0.747347  0.298348  0.260900  1
  H  H19  1  0.623186  0.235815  0.384566  1
  H  H20  1  0.498568  0.298348  0.509132  1
  H  H21  1  0.373949  0.235815  0.633698  1
  H  H22  1  0.249788  0.298348  0.757364  1
  H  H23  1  0.125966  0.236375  0.879627  1
  H  H24  1  -0.001432  0.372124  0.009132  1
  H  H25  1  0.871169  0.360321  0.138637  1
  H  H26  1  0.747718  0.423423  0.260367  1
  H  H27  1  0.623186  0.360882  0.384566  1
  H  H28  1  0.498568  0.423396  0.509132  1
  H  H29  1  0.373949  0.360882  0.633698  1
  H  H30  1  0.249417  0.423423  0.757897  1
  H  H31  1  0.125966  0.360321  0.879627  1
  H  H32  1  -0.001432  0.523602  0.009132  1
  H  H33  1  0.872720  0.484635  0.135679  1
  H  H34  1  0.748382  0.548372  0.259458  1
  H  H35  1  0.623349  0.485924  0.384386  1
  H  H36  1  0.498568  0.548422  0.509132  1
  H  H37  1  0.373786  0.485924  0.633878  1
  H  H38  1  0.248753  0.548372  0.758806  1
  H  H39  1  0.124415  0.484635  0.882585  1
  H  H40  1  -0.001432  0.663859  0.009132  1
  H  H41  1  0.873792  0.609833  0.133831  1
  H  H42  1  0.749014  0.673280  0.258663  1
  H  H43  1  0.623604  0.610919  0.384111  1
  H  H44  1  0.498568  0.673406  0.509132  1
  H  H45  1  0.373531  0.610919  0.634154  1
  H  H46  1  0.248121  0.673280  0.759601  1
  H  H47  1  0.123343  0.609833  0.884433  1
  H  H48  1  -0.001432  0.798348  0.009132  1
  H  H49  1  0.874037  0.735470  0.133418  1
  H  H50  1  0.749227  0.798348  0.258394  1
  H  H51  1  0.623785  0.735876  0.383909  1
  H  H52  1  0.498568  0.798348  0.509132  1
  H  H53  1  0.373350  0.735876  0.634355  1
  H  H54  1  0.247908  0.798348  0.759870  1
  H  H55  1  0.123098  0.735470  0.884846  1
  H  H56  1  -0.001432  0.932838  0.009132  1
  H  H57  1  0.874037  0.861226  0.133418  1
  H  H58  1  0.749014  0.923417  0.258663  1
  H  H59  1  0.623785  0.860821  0.383909  1
  H  H60  1  0.498568  0.923291  0.509132  1
  H  H61  1  0.373350  0.860821  0.634355  1
  H  H62  1  0.248121  0.923417  0.759601  1
  H  H63  1  0.123098  0.861226  0.884846  1
  H  H64  1  0.140673  0.047266  0.009182  1
  H  H65  1  0.016512  -0.013151  0.133890  1
  H  H66  1  0.891292  0.048330  0.259457  1
  H  H67  1  0.766452  -0.014222  0.384129  1
  H  H68  1  0.641374  0.048294  0.509236  1
  H  H69  1  0.516396  -0.014189  0.634165  1
  H  H70  1  0.391400  0.048360  0.759152  1
  H  H71  1  0.266474  -0.014270  0.884049  1
  H  H72  1  0.137135  0.172443  1.009131  1
  H  H73  1  0.015847  0.112032  0.135689  1
  H  H74  1  0.890667  0.173296  0.260812  1
  H  H75  1  0.766165  0.110756  0.384574  1
  H  H76  1  0.641263  0.173308  0.509412  1
  H  H77  1  0.516423  0.110814  0.634210  1
  H  H78  1  0.391410  0.173368  0.759227  1
  H  H79  1  0.266427  0.110846  0.884075  1
  H  H80  1  0.135468  0.298348  0.009167  1
  H  H81  1  0.014992  0.236356  0.138639  1
  H  H82  1  0.890101  0.298348  0.262088  1
  H  H83  1  0.765869  0.235792  0.385074  1
  H  H84  1  0.641215  0.298348  0.509488  1
  H  H85  1  0.516407  0.235837  0.634267  1
  H  H86  1  0.391347  0.298348  0.759351  1
  H  H87  1  0.266112  0.235869  0.884324  1
  H  H88  1  0.137135  0.424253  1.009131  1
  H  H89  1  0.014992  0.360340  0.138639  1
  H  H90  1  0.890667  0.423401  0.260812  1
  H  H91  1  0.765869  0.360905  0.385074  1
  H  H92  1  0.641263  0.423389  0.509412  1
  H  H93  1  0.516407  0.360860  0.634267  1
  H  H94  1  0.391410  0.423328  0.759227  1
  H  H95  1  0.266112  0.360827  0.884324  1
  H  H96  1  0.140673  0.549430  0.009182  1
  H  H97  1  0.015847  0.484664  0.135689  1
  H  H98  1  0.891292  0.548367  0.259457  1
  H  H99  1  0.766165  0.485940  0.384574  1
  H  H100  1  0.641374  0.548403  0.509236  1
  H  H101  1  0.516423  0.485882  0.634210  1
  H  H102  1  0.391400  0.548337  0.759152  1
  H  H103  1  0.266427  0.485851  0.884075  1
  H  H104  1  0.141535  0.674046  0.009138  1
  H  H105  1  0.016512  0.609848  0.133890  1
  H  H106  1  0.891654  0.673324  0.258835  1
  H  H107  1  0.766452  0.610919  0.384129  1
  H  H108  1  0.641445  0.673386  0.509110  1
  H  H109  1  0.516396  0.610885  0.634165  1
  H  H110  1  0.391306  0.673344  0.759151  1
  H  H111  1  0.266474  0.610967  0.884049  1
  H  H112  1  0.141477  0.798348  0.009179  1
  H  H113  1  0.016721  0.735468  0.133488  1
  H  H114  1  0.891704  0.798348  0.258710  1
  H  H115  1  0.766592  0.735871  0.383891  1
  H  H116  1  0.641464  0.798348  0.509063  1
  H  H117  1  0.516353  0.735865  0.634160  1
  H  H118  1  0.391258  0.798348  0.759176  1
  H  H119  1  0.266573  0.735957  0.884031  1
  H  H120  1  0.141535  0.922651  0.009138  1
  H  H121  1  0.016721  0.861228  0.133488  1
  H  H122  1  0.891654  0.923372  0.258835  1
  H  H123  1  0.766592  0.860825  0.383891  1
  H  H124  1  0.641445  0.923310  0.509110  1
  H  H125  1  0.516353  0.860832  0.634160  1
  H  H126  1  0.391306  0.923352  0.759151  1
  H  H127  1  0.266573  0.860739  0.884031  1
  H  H128  1  0.284054  0.048498  1.009130  1
  H  H129  1  0.159310  -0.014261  0.134247  1
  H  H130  1  0.034207  0.048333  0.259485  1
  H  H131  1  0.909299  -0.014257  0.384151  1
  H  H132  1  0.784205  0.048261  0.509293  1
  H  H133  1  0.659224  -0.014181  0.634212  1
  H  H134  1  0.534189  0.048366  0.759269  1
  H  H135  1  0.409173  -0.014066  0.884202  1
  H  H136  1  0.282688  0.173440  0.009159  1
  H  H137  1  0.159249  0.110858  0.134214  1
  H  H138  1  0.033995  0.173289  0.260405  1
  H  H139  1  0.909089  0.110725  0.384588  1
  H  H140  1  0.784060  0.173278  0.509596  1
  H  H141  1  0.659180  0.110820  0.634349  1
  H  H142  1  0.534162  0.173368  0.759347  1
  H  H143  1  0.409107  0.110942  0.884268  1
  H  H144  1  0.282190  0.298348  0.009151  1
  H  H145  1  0.159244  0.235873  0.133913  1
  H  H146  1  0.033856  0.298348  0.260984  1
  H  H147  1  0.908893  0.235783  0.385162  1
  H  H148  1  0.783999  0.298348  0.509729  1
  H  H149  1  0.659134  0.235837  0.634444  1
  H  H150  1  0.534147  0.298348  0.759381  1
  H  H151  1  0.408904  0.235887  0.884384  1
  H  H152  1  0.282688  0.423256  0.009159  1
  H  H153  1  0.159244  0.360824  0.133913  1
  H  H154  1  0.033995  0.423407  0.260405  1
  H  H155  1  0.908893  0.360913  0.385162  1
  H  H156  1  0.784060  0.423418  0.509596  1
  H  H157  1  0.659134  0.360860  0.634444  1
  H  H158  1  0.534162  0.423329  0.759347  1
  H  H159  1  0.408904  0.360810  0.884384  1
  H  H160  1  0.284054  0.548198  1.009130  1
  H  H161  1  0.159249  0.485839  0.134214  1
  H  H162  1  0.034207  0.548364  0.259485  1
  H  H163  1  0.909089  0.485972  0.384588  1
  H  H164  1  0.784205  0.548436  0.509293  1
  H  H165  1  0.659180  0.485877  0.634349  1
  H  H166  1  0.534189  0.548330  0.759269  1
  H  H167  1  0.409107  0.485755  0.884268  1
  H  H168  1  0.284145  0.673200  0.009161  1
  H  H169  1  0.159310  0.610958  0.134247  1
  H  H170  1  0.034405  0.673289  0.258765  1
  H  H171  1  0.909299  0.610954  0.384151  1
  H  H172  1  0.784316  0.673410  0.509066  1
  H  H173  1  0.659224  0.610878  0.634212  1
  H  H174  1  0.534185  0.673341  0.759199  1
  H  H175  1  0.409173  0.610763  0.884202  1
  H  H176  1  0.283909  0.798348  0.009208  1
  H  H177  1  0.159457  0.735939  0.134296  1
  H  H178  1  0.034468  0.798348  0.258349  1
  H  H179  1  0.909438  0.735887  0.383837  1
  H  H180  1  0.784352  0.798348  0.508972  1
  H  H181  1  0.659244  0.735861  0.634138  1
  H  H182  1  0.534176  0.798348  0.759181  1
  H  H183  1  0.409217  0.735816  0.884202  1
  H  H184  1  0.284145  0.923496  0.009161  1
  H  H185  1  0.159457  0.860758  0.134296  1
  H  H186  1  0.034405  0.923408  0.258765  1
  H  H187  1  0.909438  0.860810  0.383837  1
  H  H188  1  0.784316  0.923287  0.509066  1
  H  H189  1  0.659244  0.860835  0.634138  1
  H  H190  1  0.534185  0.923355  0.759199  1
  H  H191  1  0.409217  0.860881  0.884202  1
  H  H192  1  0.427040  0.048442  1.009126  1
  H  H193  1  0.302179  -0.014089  0.134041  1
  H  H194  1  0.177211  0.048354  0.259013  1
  H  H195  1  0.052175  -0.014253  0.384121  1
  H  H196  1  0.927102  0.048223  0.509199  1
  H  H197  1  0.802079  -0.014199  0.634181  1
  H  H198  1  0.677039  0.048368  0.759316  1
  H  H199  1  0.552055  -0.014112  0.884225  1
  H  H200  1  0.426622  0.173430  0.009170  1
  H  H201  1  0.302194  0.110909  0.133957  1
  H  H202  1  0.177275  0.173363  0.258873  1
  H  H203  1  0.052139  0.110743  0.384323  1
  H  H204  1  0.927052  0.173261  0.509308  1
  H  H205  1  0.802021  0.110800  0.634342  1
  H  H206  1  0.676995  0.173368  0.759424  1
  H  H207  1  0.551999  0.110905  0.884320  1
  H  H208  1  0.426452  0.298348  0.009186  1
  H  H209  1  0.302146  0.235872  0.133866  1
  H  H210  1  0.177315  0.298348  0.258713  1
  H  H211  1  0.052135  0.235804  0.384494  1
  H  H212  1  0.927017  0.298348  0.509411  1
  H  H213  1  0.801959  0.235829  0.634474  1
  H  H214  1  0.676989  0.298348  0.759483  1
  H  H215  1  0.551928  0.235878  0.884407  1
  H  H216  1  0.426622  0.423266  0.009170  1
  H  H217  1  0.302146  0.360825  0.133866  1
  H  H218  1  0.177275  0.423334  0.258873  1
  H  H219  1  0.052135  0.360893  0.384494  1
  H  H220  1  0.927052  0.423436  0.509308  1
  H  H221  1  0.801959  0.360867  0.634474  1
  H  H222  1  0.676995  0.423329  0.759424  1
  H  H223  1  0.551928  0.360818  0.884407  1
  H  H224  1  0.427040  0.548254  1.009126  1
  H  H225  1  0.302194  0.485788  0.133957  1
  H  H226  1  0.177211  0.548343  0.259013  1
  H  H227  1  0.052139  0.485953  0.384323  1
  H  H228  1  0.927102  0.548473  0.509199  1
  H  H229  1  0.802021  0.485897  0.634342  1
  H  H230  1  0.677039  0.548329  0.759316  1
  H  H231  1  0.551999  0.485791  0.884320  1
  H  H232  1  0.427122  0.673306  1.009129  1
  H  H233  1  0.302179  0.610786  0.134041  1
  H  H234  1  0.177171  0.673349  0.259149  1
  H  H235  1  0.052175  0.610950  0.384121  1
  H  H236  1  0.927147  0.673443  0.509138  1
  H  H237  1  0.802079  0.610896  0.634181  1
  H  H238  1  0.677066  0.673341  0.759199  1
  H  H239  1  0.552055  0.610808  0.884225  1
  H  H240  1  0.427065  0.798348  0.009138  1
  H  H241  1  0.302223  0.735823  0.134102  1
  H  H242  1  0.177127  0.798348  0.259195  1
  H  H243  1  0.052198  0.735889  0.383900  1
  H  H244  1  0.927169  0.798348  0.509100  1
  H  H245  1  0.802130  0.735868  0.634083  1
  H  H246  1  0.677085  0.798348  0.759163  1
  H  H247  1  0.552073  0.735837  0.884175  1
  H  H248  1  0.427122  0.923391  1.009129  1
  H  H249  1  0.302223  0.860874  0.134102  1
  H  H250  1  0.177171  0.923348  0.259149  1
  H  H251  1  0.052198  0.860808  0.383900  1
  H  H252  1  0.927147  0.923253  0.509138  1
  H  H253  1  0.802130  0.860829  0.634083  1
  H  H254  1  0.677066  0.923356  0.759199  1
  H  H255  1  0.552073  0.860860  0.884175  1
  H  H256  1  0.570095  0.048442  0.009138  1
  H  H257  1  0.445080  -0.014112  0.134039  1
  H  H258  1  0.320097  0.048368  0.258948  1
  H  H259  1  0.195056  -0.014199  0.384083  1
  H  H260  1  0.070033  0.048223  0.509065  1
  H  H261  1  0.944960  -0.014253  0.634143  1
  H  H262  1  0.819924  0.048354  0.759251  1
  H  H263  1  0.694956  -0.014089  0.884223  1
  H  H264  1  0.570513  0.173430  1.009094  1
  H  H265  1  0.445136  0.110905  0.133944  1
  H  H266  1  0.320140  0.173368  0.258840  1
  H  H267  1  0.195114  0.110800  0.383922  1
  H  H268  1  0.070083  0.173261  0.508956  1
  H  H269  1  0.944996  0.110743  0.633941  1
  H  H270  1  0.819860  0.173363  0.759391  1
  H  H271  1  0.694941  0.110909  0.884307  1
  H  H272  1  0.570683  0.298348  1.009078  1
  H  H273  1  0.445207  0.235878  0.133857  1
  H  H274  1  0.320146  0.298348  0.258781  1
  H  H275  1  0.195176  0.235829  0.383790  1
  H  H276  1  0.070118  0.298348  0.508853  1
  H  H277  1  0.945000  0.235804  0.633770  1
  H  H278  1  0.819820  0.298348  0.759551  1
  H  H279  1  0.694989  0.235872  0.884398  1
  H  H280  1  0.570513  0.423266  1.009094  1
  H  H281  1  0.445207  0.360818  0.133857  1
  H  H282  1  0.320140  0.423329  0.258840  1
  H  H283  1  0.195176  0.360867  0.383790  1
  H  H284  1  0.070083  0.423436  0.508956  1
  H  H285  1  0.945000  0.360893  0.633770  1
  H  H286  1  0.819860  0.423334  0.759391  1
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  H  H447  1  0.980414  0.861228  0.884776  1
