# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.94206259
_cell_length_b   17.39485053
_cell_length_c   17.20893468
_cell_angle_alpha   90.00000000
_cell_angle_beta   66.36472730
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H447
_cell_volume   4371.89485788
_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  0.873540  -0.012768  0.133196  1
  H  H2  1  0.748382  0.049103  0.258614  1
  H  H3  1  0.623320  -0.013482  0.383654  1
  H  H4  1  0.498177  0.049005  0.508781  1
  H  H5  1  0.373034  -0.013482  0.633907  1
  H  H6  1  0.247972  0.049103  0.758948  1
  H  H7  1  0.122814  -0.012768  0.884365  1
  H  H8  1  0.998177  0.062801  0.008781  1
  H  H9  1  0.873169  0.112667  0.133861  1
  H  H10  1  0.747691  0.174006  0.259482  1
  H  H11  1  0.623089  0.111486  0.383901  1
  H  H12  1  0.498177  0.174002  0.508781  1
  H  H13  1  0.373265  0.111486  0.633661  1
  H  H14  1  0.248664  0.174006  0.758079  1
  H  H15  1  0.123185  0.112667  0.883701  1
  H  H16  1  0.998177  0.205663  0.008781  1
  H  H17  1  0.871682  0.237465  0.136602  1
  H  H18  1  0.747058  0.299004  0.260428  1
  H  H19  1  0.622848  0.236501  0.384154  1
  H  H20  1  0.498177  0.299039  0.508781  1
  H  H21  1  0.373506  0.236501  0.633407  1
  H  H22  1  0.249297  0.299004  0.757134  1
  H  H23  1  0.124672  0.237465  0.880959  1
  H  H24  1  0.998177  0.361566  0.008781  1
  H  H25  1  0.870463  0.361566  0.138937  1
  H  H26  1  0.747058  0.424128  0.260428  1
  H  H27  1  0.622753  0.361566  0.384265  1
  H  H28  1  0.498177  0.424094  0.508781  1
  H  H29  1  0.373602  0.361566  0.633296  1
  H  H30  1  0.249297  0.424128  0.757134  1
  H  H31  1  0.125891  0.361566  0.878624  1
  H  H32  1  0.998177  0.517470  0.008781  1
  H  H33  1  0.871682  0.485668  0.136602  1
  H  H34  1  0.747691  0.549127  0.259482  1
  H  H35  1  0.622848  0.486632  0.384154  1
  H  H36  1  0.498177  0.549130  0.508781  1
  H  H37  1  0.373506  0.486632  0.633407  1
  H  H38  1  0.248664  0.549127  0.758079  1
  H  H39  1  0.124672  0.485668  0.880959  1
  H  H40  1  0.998177  0.660332  0.008781  1
  H  H41  1  0.873169  0.610466  0.133861  1
  H  H42  1  0.748382  0.674030  0.258614  1
  H  H43  1  0.623089  0.611647  0.383901  1
  H  H44  1  0.498177  0.674128  0.508781  1
  H  H45  1  0.373265  0.611647  0.633661  1
  H  H46  1  0.247972  0.674030  0.758948  1
  H  H47  1  0.123185  0.610466  0.883701  1
  H  H48  1  0.998177  0.795234  0.008781  1
  H  H49  1  0.873540  0.735901  0.133196  1
  H  H50  1  0.748750  0.799010  0.258146  1
  H  H51  1  0.623320  0.736615  0.383654  1
  H  H52  1  0.498177  0.799090  0.508781  1
  H  H53  1  0.373034  0.736615  0.633907  1
  H  H54  1  0.247604  0.799010  0.759416  1
  H  H55  1  0.122814  0.735901  0.884365  1
  H  H56  1  0.998177  0.927899  0.008781  1
  H  H57  1  0.873648  0.861566  0.133113  1
  H  H58  1  0.748750  0.924123  0.258146  1
  H  H59  1  0.623401  0.861566  0.383558  1
  H  H60  1  0.498177  0.924043  0.508781  1
  H  H61  1  0.372953  0.861566  0.634004  1
  H  H62  1  0.247604  0.924123  0.759416  1
  H  H63  1  0.122706  0.861566  0.884448  1
  H  H64  1  0.141030  0.048099  1.008726  1
  H  H65  1  0.016259  -0.012785  0.133231  1
  H  H66  1  0.891166  0.049132  0.258609  1
  H  H67  1  0.766149  -0.013478  0.383631  1
  H  H68  1  0.641029  0.049017  0.508820  1
  H  H69  1  0.515985  -0.013467  0.633808  1
  H  H70  1  0.391005  0.049064  0.758729  1
  H  H71  1  0.266183  -0.013593  0.883649  1
  H  H72  1  0.139520  0.172945  1.008771  1
  H  H73  1  0.015979  0.112621  0.133895  1
  H  H74  1  0.890736  0.174097  0.259342  1
  H  H75  1  0.765969  0.111484  0.383917  1
  H  H76  1  0.640920  0.174010  0.508989  1
  H  H77  1  0.516037  0.111523  0.633823  1
  H  H78  1  0.391084  0.174084  0.758778  1
  H  H79  1  0.266173  0.111483  0.883559  1
  H  H80  1  0.135130  0.298434  0.008811  1
  H  H81  1  0.015034  0.237420  0.136605  1
  H  H82  1  0.889855  0.298989  0.261471  1
  H  H83  1  0.765600  0.236467  0.384515  1
  H  H84  1  0.640818  0.299040  0.509147  1
  H  H85  1  0.516038  0.236538  0.633889  1
  H  H86  1  0.391018  0.299087  0.758914  1
  H  H87  1  0.265873  0.236580  0.883799  1
  H  H88  1  0.135130  0.424699  0.008811  1
  H  H89  1  0.014384  0.361566  0.138917  1
  H  H90  1  0.889855  0.424144  0.261471  1
  H  H91  1  0.765390  0.361566  0.384881  1
  H  H92  1  0.640818  0.424093  0.509147  1
  H  H93  1  0.516022  0.361566  0.633926  1
  H  H94  1  0.391018  0.424046  0.758914  1
  H  H95  1  0.265648  0.361566  0.884002  1
  H  H96  1  0.139520  0.550188  1.008771  1
  H  H97  1  0.015034  0.485713  0.136605  1
  H  H98  1  0.890736  0.549036  0.259342  1
  H  H99  1  0.765600  0.486666  0.384515  1
  H  H100  1  0.640920  0.549123  0.508989  1
  H  H101  1  0.516038  0.486595  0.633889  1
  H  H102  1  0.391084  0.549049  0.758778  1
  H  H103  1  0.265873  0.486553  0.883799  1
  H  H104  1  0.141030  0.675034  1.008726  1
  H  H105  1  0.015979  0.610512  0.133895  1
  H  H106  1  0.891166  0.674001  0.258609  1
  H  H107  1  0.765969  0.611649  0.383917  1
  H  H108  1  0.641029  0.674116  0.508820  1
  H  H109  1  0.516037  0.611610  0.633823  1
  H  H110  1  0.391005  0.674069  0.758729  1
  H  H111  1  0.266173  0.611650  0.883559  1
  H  H112  1  0.141049  0.799507  0.008795  1
  H  H113  1  0.016259  0.735918  0.133231  1
  H  H114  1  0.891283  0.799032  0.258372  1
  H  H115  1  0.766149  0.736611  0.383631  1
  H  H116  1  0.641070  0.799087  0.508736  1
  H  H117  1  0.515985  0.736600  0.633808  1
  H  H118  1  0.390877  0.799070  0.758825  1
  H  H119  1  0.266183  0.736726  0.883649  1
  H  H120  1  0.141049  0.923626  0.008795  1
  H  H121  1  0.016330  0.861566  0.133129  1
  H  H122  1  0.891283  0.924101  0.258372  1
  H  H123  1  0.766205  0.861566  0.383531  1
  H  H124  1  0.641070  0.924046  0.508736  1
  H  H125  1  0.515954  0.861566  0.633819  1
  H  H126  1  0.390877  0.924063  0.758825  1
  H  H127  1  0.266065  0.861566  0.883757  1
  H  H128  1  0.283821  0.049230  1.008737  1
  H  H129  1  0.159004  -0.013578  0.133855  1
  H  H130  1  0.033952  0.049092  0.258640  1
  H  H131  1  0.908996  -0.013492  0.383581  1
  H  H132  1  0.783887  0.049000  0.508803  1
  H  H133  1  0.658857  -0.013449  0.633821  1
  H  H134  1  0.533806  0.049081  0.758874  1
  H  H135  1  0.408854  -0.013375  0.883822  1
  H  H136  1  0.283374  0.174196  1.008711  1
  H  H137  1  0.158908  0.111477  0.133862  1
  H  H138  1  0.033711  0.174017  0.259445  1
  H  H139  1  0.908836  0.111466  0.383896  1
  H  H140  1  0.783736  0.173989  0.509082  1
  H  H141  1  0.658816  0.111545  0.633945  1
  H  H142  1  0.533815  0.174090  0.758960  1
  H  H143  1  0.408788  0.111662  0.883850  1
  H  H144  1  0.281734  0.299109  0.008804  1
  H  H145  1  0.158814  0.236573  0.133676  1
  H  H146  1  0.033535  0.299017  0.260435  1
  H  H147  1  0.908575  0.236457  0.384566  1
  H  H148  1  0.783609  0.299029  0.509358  1
  H  H149  1  0.658763  0.236550  0.634077  1
  H  H150  1  0.533770  0.299079  0.759017  1
  H  H151  1  0.408596  0.236649  0.883961  1
  H  H152  1  0.281734  0.424024  0.008804  1
  H  H153  1  0.158844  0.361566  0.133421  1
  H  H154  1  0.033535  0.424116  0.260435  1
  H  H155  1  0.908444  0.361566  0.384980  1
  H  H156  1  0.783609  0.424104  0.509358  1
  H  H157  1  0.658739  0.361566  0.634127  1
  H  H158  1  0.533770  0.424054  0.759017  1
  H  H159  1  0.408445  0.361566  0.884070  1
  H  H160  1  0.283374  0.548937  1.008711  1
  H  H161  1  0.158814  0.486560  0.133676  1
  H  H162  1  0.033711  0.549116  0.259445  1
  H  H163  1  0.908575  0.486676  0.384566  1
  H  H164  1  0.783736  0.549144  0.509082  1
  H  H165  1  0.658763  0.486583  0.634077  1
  H  H166  1  0.533815  0.549043  0.758960  1
  H  H167  1  0.408596  0.486484  0.883961  1
  H  H168  1  0.283821  0.673903  1.008737  1
  H  H169  1  0.158908  0.611656  0.133862  1
  H  H170  1  0.033952  0.674041  0.258640  1
  H  H171  1  0.908836  0.611667  0.383896  1
  H  H172  1  0.783887  0.674133  0.508803  1
  H  H173  1  0.658816  0.611587  0.633945  1
  H  H174  1  0.533806  0.674052  0.758874  1
  H  H175  1  0.408788  0.611471  0.883850  1
  H  H176  1  0.283568  0.798972  0.008814  1
  H  H177  1  0.159004  0.736711  0.133855  1
  H  H178  1  0.034040  0.799018  0.258071  1
  H  H179  1  0.908996  0.736625  0.383581  1
  H  H180  1  0.783960  0.799094  0.508656  1
  H  H181  1  0.658857  0.736582  0.633821  1
  H  H182  1  0.533811  0.799063  0.758824  1
  H  H183  1  0.408854  0.736508  0.883822  1
  H  H184  1  0.283568  0.924161  0.008814  1
  H  H185  1  0.159076  0.861566  0.133890  1
  H  H186  1  0.034040  0.924115  0.258071  1
  H  H187  1  0.909065  0.861566  0.383441  1
  H  H188  1  0.783960  0.924039  0.508656  1
  H  H189  1  0.658870  0.861566  0.633778  1
  H  H190  1  0.533811  0.924070  0.758824  1
  H  H191  1  0.408809  0.861566  0.883837  1
  H  H192  1  0.426728  0.049130  1.008763  1
  H  H193  1  0.301798  -0.013387  0.133716  1
  H  H194  1  0.176794  0.049064  0.258743  1
  H  H195  1  0.051787  -0.013496  0.383615  1
  H  H196  1  0.926742  0.048962  0.508809  1
  H  H197  1  0.801736  -0.013467  0.633779  1
  H  H198  1  0.676666  0.049088  0.758906  1
  H  H199  1  0.551703  -0.013413  0.883845  1
  H  H200  1  0.426544  0.174173  1.008768  1
  H  H201  1  0.301799  0.111633  0.133621  1
  H  H202  1  0.176826  0.174079  0.258574  1
  H  H203  1  0.051763  0.111472  0.383839  1
  H  H204  1  0.926680  0.173961  0.508900  1
  H  H205  1  0.801669  0.111521  0.633905  1
  H  H206  1  0.676653  0.174100  0.759056  1
  H  H207  1  0.551649  0.111620  0.883926  1
  H  H208  1  0.426078  0.299127  0.008795  1
  H  H209  1  0.301753  0.236618  0.133503  1
  H  H210  1  0.176940  0.299083  0.258362  1
  H  H211  1  0.051748  0.236494  0.384055  1
  H  H212  1  0.926614  0.299021  0.509074  1
  H  H213  1  0.801587  0.236534  0.634083  1
  H  H214  1  0.676599  0.299085  0.759146  1
  H  H215  1  0.551578  0.236624  0.884032  1
  H  H216  1  0.426078  0.424006  0.008795  1
  H  H217  1  0.301722  0.361566  0.133423  1
  H  H218  1  0.176940  0.424050  0.258362  1
  H  H219  1  0.051742  0.361566  0.384156  1
  H  H220  1  0.926614  0.424112  0.509074  1
  H  H221  1  0.801546  0.361566  0.634182  1
  H  H222  1  0.676599  0.424048  0.759146  1
  H  H223  1  0.551550  0.361566  0.884074  1
  H  H224  1  0.426544  0.548960  1.008768  1
  H  H225  1  0.301753  0.486515  0.133503  1
  H  H226  1  0.176826  0.549054  0.258574  1
  H  H227  1  0.051748  0.486639  0.384055  1
  H  H228  1  0.926680  0.549172  0.508900  1
  H  H229  1  0.801587  0.486599  0.634083  1
  H  H230  1  0.676653  0.549033  0.759056  1
  H  H231  1  0.551578  0.486509  0.884032  1
  H  H232  1  0.426728  0.674003  1.008763  1
  H  H233  1  0.301799  0.611500  0.133621  1
  H  H234  1  0.176794  0.674069  0.258743  1
  H  H235  1  0.051763  0.611661  0.383839  1
  H  H236  1  0.926742  0.674171  0.508809  1
  H  H237  1  0.801669  0.611612  0.633905  1
  H  H238  1  0.676666  0.674045  0.758906  1
  H  H239  1  0.551649  0.611513  0.883926  1
  H  H240  1  0.426676  0.799046  1.008777  1
  H  H241  1  0.301798  0.736520  0.133716  1
  H  H242  1  0.176727  0.799067  0.258793  1
  H  H243  1  0.051787  0.736629  0.383615  1
  H  H244  1  0.926779  0.799111  0.508761  1
  H  H245  1  0.801736  0.736599  0.633779  1
  H  H246  1  0.676711  0.799061  0.758825  1
  H  H247  1  0.551703  0.736546  0.883845  1
  H  H248  1  0.426676  0.924087  1.008777  1
  H  H249  1  0.301844  0.861566  0.133746  1
  H  H250  1  0.176727  0.924066  0.258793  1
  H  H251  1  0.051802  0.861566  0.383505  1
  H  H252  1  0.926779  0.924022  0.508761  1
  H  H253  1  0.801760  0.861566  0.633741  1
  H  H254  1  0.676711  0.924072  0.758825  1
  H  H255  1  0.551667  0.861566  0.883826  1
  H  H256  1  0.569626  0.049130  0.008798  1
  H  H257  1  0.444652  -0.013413  0.133717  1
  H  H258  1  0.319688  0.049088  0.258656  1
  H  H259  1  0.194619  -0.013467  0.383783  1
  H  H260  1  0.069613  0.048962  0.508753  1
  H  H261  1  0.944567  -0.013496  0.633947  1
  H  H262  1  0.819560  0.049064  0.758819  1
  H  H263  1  0.694556  -0.013387  0.883845  1
  H  H264  1  0.569810  0.174173  0.008794  1
  H  H265  1  0.444705  0.111620  0.133635  1
  H  H266  1  0.319701  0.174100  0.258505  1
  H  H267  1  0.194685  0.111521  0.383657  1
  H  H268  1  0.069674  0.173961  0.508662  1
  H  H269  1  0.944591  0.111472  0.633722  1
  H  H270  1  0.819528  0.174079  0.758988  1
  H  H271  1  0.694555  0.111633  0.883941  1
  H  H272  1  0.570277  0.299127  1.008767  1
  H  H273  1  0.444776  0.236624  0.133529  1
  H  H274  1  0.319755  0.299085  0.258416  1
  H  H275  1  0.194767  0.236534  0.383478  1
  H  H276  1  0.069741  0.299021  0.508487  1
  H  H277  1  0.944606  0.236494  0.633506  1
  H  H278  1  0.819414  0.299083  0.759200  1
  H  H279  1  0.694601  0.236618  0.884059  1
  H  H280  1  0.570277  0.424006  1.008767  1
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  H  H446  1  0.105071  0.924101  0.759190  1
  H  H447  1  0.980024  0.861566  0.884432  1
