# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.14627588
_cell_length_b   17.41461307
_cell_length_c   15.42827792
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.58677556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H447
_cell_volume   3980.95109627
_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  0.964342  0.083404  0.312291  1
  H  H2  1  0.964342  0.083411  0.562603  1
  H  H3  1  0.964342  0.083404  0.812916  1
  H  H4  1  0.842308  0.205100  0.062603  1
  H  H5  1  0.839650  0.208256  0.312183  1
  H  H6  1  0.839369  0.208391  0.562603  1
  H  H7  1  0.839650  0.208256  0.813024  1
  H  H8  1  0.715335  0.332309  0.062603  1
  H  H9  1  0.714489  0.333280  0.312483  1
  H  H10  1  0.714416  0.333416  0.562603  1
  H  H11  1  0.714489  0.333280  0.812723  1
  H  H12  1  0.589702  0.458080  0.062603  1
  H  H13  1  0.589429  0.458388  0.312533  1
  H  H14  1  0.589390  0.458434  0.562603  1
  H  H15  1  0.589429  0.458388  0.812674  1
  H  H16  1  0.464358  0.583469  0.062603  1
  H  H17  1  0.464364  0.583466  0.312548  1
  H  H18  1  0.464363  0.583457  0.562603  1
  H  H19  1  0.464364  0.583466  0.812658  1
  H  H20  1  0.338958  0.708797  0.062603  1
  H  H21  1  0.339279  0.708515  0.312531  1
  H  H22  1  0.339337  0.708474  0.562603  1
  H  H23  1  0.339279  0.708515  0.812676  1
  H  H24  1  0.213190  0.834419  0.062603  1
  H  H25  1  0.214179  0.833560  0.312480  1
  H  H26  1  0.214329  0.833486  0.562603  1
  H  H27  1  0.214179  0.833560  0.812727  1
  H  H28  1  0.085984  0.961407  0.062603  1
  H  H29  1  0.089197  0.958691  0.312178  1
  H  H30  1  0.089310  0.958438  0.562603  1
  H  H31  1  0.089197  0.958691  0.813029  1
  H  H32  1  0.103471  0.083692  0.062603  1
  H  H33  1  0.107002  0.083272  0.312180  1
  H  H34  1  0.107168  0.083412  0.562603  1
  H  H35  1  0.107002  0.083272  0.813027  1
  H  H36  1  0.982073  0.205064  0.062603  1
  H  H37  1  0.982030  0.208236  0.312185  1
  H  H38  1  0.982198  0.208379  0.562603  1
  H  H39  1  0.982030  0.208236  0.813022  1
  H  H40  1  0.857642  0.332393  0.062603  1
  H  H41  1  0.857238  0.333328  0.312405  1
  H  H42  1  0.857219  0.333372  0.562603  1
  H  H43  1  0.857238  0.333328  0.812802  1
  H  H44  1  0.732486  0.457962  0.062603  1
  H  H45  1  0.732243  0.458376  0.312513  1
  H  H46  1  0.732226  0.458420  0.562603  1
  H  H47  1  0.732243  0.458376  0.812694  1
  H  H48  1  0.607301  0.583337  0.062603  1
  H  H49  1  0.607229  0.583440  0.312539  1
  H  H50  1  0.607216  0.583444  0.562603  1
  H  H51  1  0.607229  0.583440  0.812667  1
  H  H52  1  0.482066  0.708570  0.062603  1
  H  H53  1  0.482186  0.708479  0.312539  1
  H  H54  1  0.482201  0.708456  0.562603  1
  H  H55  1  0.482186  0.708479  0.812668  1
  H  H56  1  0.356695  0.833756  0.062603  1
  H  H57  1  0.357131  0.833483  0.312510  1
  H  H58  1  0.357184  0.833458  0.562603  1
  H  H59  1  0.357131  0.833483  0.812697  1
  H  H60  1  0.231119  0.958929  0.062603  1
  H  H61  1  0.232105  0.958462  0.312400  1
  H  H62  1  0.232145  0.958444  0.562603  1
  H  H63  1  0.232105  0.958462  0.812807  1
  H  H64  1  0.248833  0.083538  0.062603  1
  H  H65  1  0.249894  0.083425  0.312478  1
  H  H66  1  0.250038  0.083366  0.562603  1
  H  H67  1  0.249894  0.083425  0.812729  1
  H  H68  1  0.124638  0.208049  0.062603  1
  H  H69  1  0.125079  0.208413  0.312826  1
  H  H70  1  0.125005  0.208366  0.562603  1
  H  H71  1  0.125079  0.208413  0.812381  1
  H  H72  1  1.000034  0.332246  0.062603  1
  H  H73  1  1.000043  0.333234  0.312491  1
  H  H74  1  0.999994  0.333391  0.562603  1
  H  H75  1  1.000043  0.333234  0.812716  1
  H  H76  1  0.875199  0.457951  0.062603  1
  H  H77  1  0.875066  0.458360  0.312514  1
  H  H78  1  0.875036  0.458412  0.562603  1
  H  H79  1  0.875066  0.458360  0.812693  1
  H  H80  1  0.750152  0.583297  0.062603  1
  H  H81  1  0.750067  0.583425  0.312538  1
  H  H82  1  0.750053  0.583439  0.562603  1
  H  H83  1  0.750067  0.583425  0.812668  1
  H  H84  1  0.625064  0.708494  0.062603  1
  H  H85  1  0.625060  0.708464  0.312544  1
  H  H86  1  0.625057  0.708447  0.562603  1
  H  H87  1  0.625060  0.708464  0.812663  1
  H  H88  1  0.499891  0.833590  0.062603  1
  H  H89  1  0.500034  0.833469  0.312536  1
  H  H90  1  0.500055  0.833442  0.562603  1
  H  H91  1  0.500034  0.833469  0.812671  1
  H  H92  1  0.374574  0.958641  0.062603  1
  H  H93  1  0.374996  0.958457  0.312506  1
  H  H94  1  0.375042  0.958419  0.562603  1
  H  H95  1  0.374996  0.958457  0.812700  1
  H  H96  1  0.392602  0.083477  0.062603  1
  H  H97  1  0.392868  0.083420  0.312521  1
  H  H98  1  0.392915  0.083390  0.562603  1
  H  H99  1  0.392868  0.083420  0.812686  1
  H  H100  1  0.267730  0.208342  0.062603  1
  H  H101  1  0.267939  0.208437  0.312696  1
  H  H102  1  0.267904  0.208394  0.562603  1
  H  H103  1  0.267939  0.208437  0.812511  1
  H  H104  1  0.142813  0.333197  0.062603  1
  H  H105  1  0.142935  0.333414  0.312700  1
  H  H106  1  0.142885  0.333398  0.562603  1
  H  H107  1  0.142935  0.333414  0.812507  1
  H  H108  1  0.017875  0.457980  0.062603  1
  H  H109  1  0.017879  0.458311  0.312551  1
  H  H110  1  0.017868  0.458398  0.562603  1
  H  H111  1  0.017879  0.458311  0.812656  1
  H  H112  1  0.892945  0.583361  0.062603  1
  H  H113  1  0.892894  0.583424  0.312537  1
  H  H114  1  0.892886  0.583437  0.562603  1
  H  H115  1  0.892894  0.583424  0.812670  1
  H  H116  1  0.767986  0.708539  0.062603  1
  H  H117  1  0.767914  0.708465  0.312537  1
  H  H118  1  0.767903  0.708449  0.562603  1
  H  H119  1  0.767914  0.708465  0.812670  1
  H  H120  1  0.642981  0.833587  0.062603  1
  H  H121  1  0.642924  0.833468  0.312536  1
  H  H122  1  0.642915  0.833441  0.562603  1
  H  H123  1  0.642924  0.833468  0.812671  1
  H  H124  1  0.517873  0.958553  0.062603  1
  H  H125  1  0.517914  0.958447  0.312526  1
  H  H126  1  0.517920  0.958423  0.562603  1
  H  H127  1  0.517914  0.958447  0.812680  1
  H  H128  1  0.536049  0.083489  0.062603  1
  H  H129  1  0.535828  0.083429  0.312521  1
  H  H130  1  0.535804  0.083396  0.562603  1
  H  H131  1  0.535828  0.083429  0.812686  1
  H  H132  1  0.410786  0.208406  0.062603  1
  H  H133  1  0.410772  0.208437  0.312646  1
  H  H134  1  0.410782  0.208406  0.562603  1
  H  H135  1  0.410772  0.208437  0.812560  1
  H  H136  1  0.285746  0.333385  0.062603  1
  H  H137  1  0.285781  0.333446  0.312661  1
  H  H138  1  0.285767  0.333418  0.562603  1
  H  H139  1  0.285781  0.333446  0.812546  1
  H  H140  1  0.160723  0.458325  0.062603  1
  H  H141  1  0.160760  0.458401  0.312643  1
  H  H142  1  0.160747  0.458414  0.562603  1
  H  H143  1  0.160760  0.458401  0.812564  1
  H  H144  1  0.035723  0.583324  0.062603  1
  H  H145  1  0.035738  0.583348  0.312598  1
  H  H146  1  0.035733  0.583416  0.562603  1
  H  H147  1  0.035738  0.583348  0.812609  1
  H  H148  1  0.910854  0.708741  0.062603  1
  H  H149  1  0.910764  0.708488  0.312524  1
  H  H150  1  0.910737  0.708461  0.562603  1
  H  H151  1  0.910764  0.708488  0.812683  1
  H  H152  1  0.786010  0.833747  0.062603  1
  H  H153  1  0.785800  0.833479  0.312508  1
  H  H154  1  0.785763  0.833456  0.562603  1
  H  H155  1  0.785800  0.833479  0.812699  1
  H  H156  1  0.661081  0.958651  0.062603  1
  H  H157  1  0.660812  0.958465  0.312506  1
  H  H158  1  0.660795  0.958424  0.562603  1
  H  H159  1  0.660812  0.958465  0.812701  1
  H  H160  1  0.679742  0.083568  0.062603  1
  H  H161  1  0.678781  0.083448  0.312477  1
  H  H162  1  0.678691  0.083380  0.562603  1
  H  H163  1  0.678781  0.083448  0.812729  1
  H  H164  1  0.553872  0.208380  0.062603  1
  H  H165  1  0.553586  0.208465  0.312695  1
  H  H166  1  0.553661  0.208410  0.562603  1
  H  H167  1  0.553586  0.208465  0.812512  1
  H  H168  1  0.428683  0.333418  0.062603  1
  H  H169  1  0.428601  0.333470  0.312658  1
  H  H170  1  0.428638  0.333431  0.562603  1
  H  H171  1  0.428601  0.333470  0.812548  1
  H  H172  1  0.303626  0.458428  0.062603  1
  H  H173  1  0.303628  0.458440  0.312643  1
  H  H174  1  0.303627  0.458434  0.562603  1
  H  H175  1  0.303628  0.458440  0.812564  1
  H  H176  1  0.178579  0.583429  0.062603  1
  H  H177  1  0.178630  0.583372  0.312647  1
  H  H178  1  0.178613  0.583425  0.562603  1
  H  H179  1  0.178630  0.583372  0.812560  1
  H  H180  1  0.053568  0.708591  0.062603  1
  H  H181  1  0.053632  0.708341  0.312677  1
  H  H182  1  0.053596  0.708439  0.562603  1
  H  H183  1  0.053632  0.708341  0.812530  1
  H  H184  1  0.928903  0.834413  0.062603  1
  H  H185  1  0.928658  0.833555  0.312476  1
  H  H186  1  0.928578  0.833483  0.562603  1
  H  H187  1  0.928658  0.833555  0.812731  1
  H  H188  1  0.804262  0.958946  0.062603  1
  H  H189  1  0.803680  0.958472  0.312399  1
  H  H190  1  0.803659  0.958451  0.562603  1
  H  H191  1  0.803680  0.958472  0.812808  1
  H  H192  1  0.824952  0.083724  0.062603  1
  H  H193  1  0.821791  0.083293  0.312181  1
  H  H194  1  0.821514  0.083425  0.562603  1
  H  H195  1  0.821791  0.083293  0.813026  1
  H  H196  1  0.697191  0.208101  0.062603  1
  H  H197  1  0.696451  0.208451  0.312823  1
  H  H198  1  0.696573  0.208389  0.562603  1
  H  H199  1  0.696451  0.208451  0.812384  1
  H  H200  1  0.571744  0.333272  0.062603  1
  H  H201  1  0.571448  0.333469  0.312693  1
  H  H202  1  0.571523  0.333428  0.562603  1
  H  H203  1  0.571448  0.333469  0.812514  1
  H  H204  1  0.446568  0.458416  0.062603  1
  H  H205  1  0.446489  0.458468  0.312631  1
  H  H206  1  0.446505  0.458445  0.562603  1
  H  H207  1  0.446489  0.458468  0.812576  1
  H  H208  1  0.321445  0.583508  0.062603  1
  H  H209  1  0.321501  0.583434  0.312628  1
  H  H210  1  0.321490  0.583449  0.562603  1
  H  H211  1  0.321501  0.583434  0.812579  1
  H  H212  1  0.196300  0.708646  0.062603  1
  H  H213  1  0.196493  0.708371  0.312687  1
  H  H214  1  0.196472  0.708451  0.562603  1
  H  H215  1  0.196493  0.708371  0.812520  1
  H  H216  1  0.071185  0.834054  0.062603  1
  H  H217  1  0.071491  0.833364  0.312816  1
  H  H218  1  0.071444  0.833492  0.562603  1
  H  H219  1  0.071491  0.833364  0.812391  1
  H  H220  1  0.947252  0.961432  0.062603  1
  H  H221  1  0.946377  0.958697  0.312179  1
  H  H222  1  0.946490  0.958442  0.562603  1
  H  H223  1  0.946377  0.958697  0.813028  1
  H  H224  1  0.052107  0.042441  0.185541  1
  H  H225  1  0.053587  0.041762  0.437468  1
  H  H226  1  0.053587  0.041762  0.687739  1
  H  H227  1  0.052107  0.042441  0.939665  1
  H  H228  1  0.929235  0.165303  0.185543  1
  H  H229  1  0.928643  0.166701  0.437470  1
  H  H230  1  0.928643  0.166701  0.687736  1
  H  H231  1  0.929235  0.165303  0.939663  1
  H  H232  1  0.803896  0.291148  0.187340  1
  H  H233  1  0.803682  0.291653  0.437463  1
  H  H234  1  0.803682  0.291653  0.687744  1
  H  H235  1  0.803896  0.291148  0.937867  1
  H  H236  1  0.678815  0.416475  0.187478  1
  H  H237  1  0.678674  0.416713  0.437543  1
  H  H238  1  0.678674  0.416713  0.687664  1
  H  H239  1  0.678815  0.416475  0.937729  1
  H  H240  1  0.553707  0.541719  0.187536  1
  H  H241  1  0.553653  0.541765  0.437563  1
  H  H242  1  0.553653  0.541765  0.687644  1
  H  H243  1  0.553707  0.541719  0.937671  1
  H  H244  1  0.428561  0.666871  0.187535  1
  H  H245  1  0.428620  0.666801  0.437563  1
  H  H246  1  0.428620  0.666801  0.687644  1
  H  H247  1  0.428561  0.666871  0.937672  1
  H  H248  1  0.303326  0.791981  0.187476  1
  H  H249  1  0.303578  0.791818  0.437542  1
  H  H250  1  0.303578  0.791818  0.687665  1
  H  H251  1  0.303326  0.791981  0.937731  1
  H  H252  1  0.178000  0.917063  0.187338  1
  H  H253  1  0.178528  0.916817  0.437460  1
  H  H254  1  0.178528  0.916817  0.687746  1
  H  H255  1  0.178000  0.917063  0.937869  1
  H  H256  1  0.195864  0.042039  0.187336  1
  H  H257  1  0.196386  0.041791  0.437460  1
  H  H258  1  0.196386  0.041791  0.687747  1
  H  H259  1  0.195864  0.042039  0.937871  1
  H  H260  1  0.072048  0.167165  0.188175  1
  H  H261  1  0.071428  0.166698  0.437421  1
  H  H262  1  0.071428  0.166698  0.687786  1
  H  H263  1  0.072048  0.167165  0.937031  1
  H  H264  1  0.946723  0.291117  0.187343  1
  H  H265  1  0.946508  0.291640  0.437466  1
  H  H266  1  0.946508  0.291640  0.687741  1
  H  H267  1  0.946723  0.291117  0.937864  1
  H  H268  1  0.821668  0.416306  0.187487  1
  H  H269  1  0.821517  0.416666  0.437542  1
  H  H270  1  0.821517  0.416666  0.687665  1
  H  H271  1  0.821668  0.416306  0.937720  1
  H  H272  1  0.696596  0.541579  0.187531  1
  H  H273  1  0.696509  0.541729  0.437564  1
  H  H274  1  0.696509  0.541729  0.687643  1
  H  H275  1  0.696596  0.541579  0.937675  1
  H  H276  1  0.571481  0.666793  0.187543  1
  H  H277  1  0.571487  0.666778  0.437568  1
  H  H278  1  0.571487  0.666778  0.687639  1
  H  H279  1  0.571481  0.666793  0.937664  1
  H  H280  1  0.446296  0.791927  0.187530  1
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  H  H355  1  0.625251  0.041880  0.937737  1
  H  H356  1  0.499930  0.166831  0.187618  1
  H  H357  1  0.500070  0.166742  0.437619  1
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  H  H359  1  0.499930  0.166831  0.937588  1
  H  H360  1  0.375037  0.291844  0.187625  1
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  H  H364  1  0.250083  0.416813  0.187622  1
  H  H365  1  0.250051  0.416771  0.437630  1
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  H  H368  1  0.125069  0.541683  0.187611  1
  H  H369  1  0.125034  0.541762  0.437621  1
  H  H370  1  0.125034  0.541762  0.687586  1
  H  H371  1  0.125069  0.541683  0.937596  1
  H  H372  1  0.000065  0.666512  0.187601  1
  H  H373  1  1.000024  0.666734  0.437603  1
  H  H374  1  1.000024  0.666734  0.687603  1
  H  H375  1  0.000065  0.666512  0.937606  1
  H  H376  1  0.875189  0.791908  0.187473  1
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  H  H379  1  0.875189  0.791908  0.937734  1
  H  H380  1  0.750304  0.916975  0.187482  1
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  H  H382  1  0.750102  0.916799  0.687668  1
  H  H383  1  0.750304  0.916975  0.937725  1
  H  H384  1  0.768287  0.042037  0.187336  1
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  H  H387  1  0.768287  0.042037  0.937870  1
  H  H388  1  0.642401  0.166984  0.187731  1
  H  H389  1  0.642937  0.166736  0.437651  1
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  H  H391  1  0.642401  0.166984  0.937476  1
  H  H392  1  0.517671  0.291916  0.187644  1
  H  H393  1  0.517925  0.291767  0.437650  1
  H  H394  1  0.517925  0.291767  0.687556  1
  H  H395  1  0.517671  0.291916  0.937563  1
  H  H396  1  0.392866  0.416845  0.187619  1
  H  H397  1  0.392923  0.416781  0.437628  1
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  H  H399  1  0.392866  0.416845  0.937588  1
  H  H400  1  0.267953  0.541728  0.187616  1
  H  H401  1  0.267916  0.541780  0.437625  1
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  H  H420  1  0.784832  0.167184  0.188174  1
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  H  H427  1  0.660268  0.292037  0.937475  1
  H  H428  1  0.535638  0.416896  0.187617  1
  H  H429  1  0.535788  0.416788  0.437616  1
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  H  H435  1  0.410787  0.541806  0.937610  1
  H  H436  1  0.285871  0.666645  0.187615  1
  H  H437  1  0.285787  0.666784  0.437614  1
  H  H438  1  0.285787  0.666784  0.687592  1
  H  H439  1  0.285871  0.666645  0.937592  1
  H  H440  1  0.161003  0.791271  0.187728  1
  H  H441  1  0.160774  0.791779  0.437648  1
  H  H442  1  0.160774  0.791779  0.687559  1
  H  H443  1  0.161003  0.791271  0.937479  1
  H  H444  1  0.036139  0.915852  0.188170  1
  H  H445  1  0.035730  0.916830  0.437417  1
  H  H446  1  0.035730  0.916830  0.687790  1
  H  H447  1  0.036139  0.915852  0.937037  1
