# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92041737
_cell_length_b   12.03401103
_cell_length_c   64.23677120
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.50375336
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4576.46497736
_cell_formula_units_Z   108
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  0.658645  0.844484  0.151350  1
  H  H2  1  0.297121  0.845411  0.164195  1
  H  H3  1  0.531639  0.677978  0.170489  1
  H  H4  1  0.658645  0.511151  0.151350  1
  H  H5  1  0.946001  0.844055  0.176273  1
  H  H6  1  0.256115  0.679251  0.145602  1
  H  H7  1  0.297121  0.512078  0.164195  1
  H  H8  1  0.531639  0.344645  0.170489  1
  H  H9  1  0.658645  0.177817  0.151350  1
  H  H10  1  0.885927  0.677177  0.157498  1
  H  H11  1  0.946001  0.510722  0.176273  1
  H  H12  1  0.256115  0.345918  0.145602  1
  H  H13  1  0.297121  0.178744  0.164195  1
  H  H14  1  0.531639  0.011312  0.170489  1
  H  H15  1  0.885927  0.343844  0.157498  1
  H  H16  1  0.946001  0.177388  0.176273  1
  H  H17  1  0.256115  0.012584  0.145602  1
  H  H18  1  0.885927  0.010510  0.157498  1
  H  H19  1  0.593402  0.844395  0.188358  1
  H  H20  1  0.240452  0.844558  0.200465  1
  H  H21  1  0.462769  0.677740  0.206373  1
  H  H22  1  0.593402  0.511061  0.188358  1
  H  H23  1  0.886519  0.844187  0.212382  1
  H  H24  1  0.173119  0.678041  0.182372  1
  H  H25  1  0.240452  0.511224  0.200465  1
  H  H26  1  0.462769  0.344406  0.206373  1
  H  H27  1  0.593402  0.177728  0.188358  1
  H  H28  1  0.818343  0.677506  0.194312  1
  H  H29  1  0.886519  0.510854  0.212382  1
  H  H30  1  0.173119  0.344708  0.182372  1
  H  H31  1  0.240452  0.177891  0.200465  1
  H  H32  1  0.462769  0.011073  0.206373  1
  H  H33  1  0.818343  0.344172  0.194312  1
  H  H34  1  0.886519  0.177521  0.212382  1
  H  H35  1  0.173119  0.011374  0.182372  1
  H  H36  1  0.818343  0.010839  0.194312  1
  H  H37  1  0.532402  0.844294  0.224464  1
  H  H38  1  0.177727  0.844253  0.236539  1
  H  H39  1  0.398471  0.677567  0.242500  1
  H  H40  1  0.532402  0.510960  0.224464  1
  H  H41  1  0.823095  0.844188  0.248579  1
  H  H42  1  1.107861  0.677660  0.218406  1
  H  H43  1  0.177727  0.510919  0.236539  1
  H  H44  1  0.398471  0.344234  0.242500  1
  H  H45  1  0.532402  0.177627  0.224464  1
  H  H46  1  0.753180  0.677556  0.230431  1
  H  H47  1  0.823095  0.510855  0.248579  1
  H  H48  1  1.107861  0.344326  0.218406  1
  H  H49  1  0.177727  0.177586  0.236539  1
  H  H50  1  0.398471  0.010901  0.242500  1
  H  H51  1  0.753180  0.344223  0.230431  1
  H  H52  1  0.823095  0.177521  0.248579  1
  H  H53  1  1.107861  0.010993  0.218406  1
  H  H54  1  0.753180  0.010890  0.230431  1
  H  H55  1  0.468446  0.844165  0.260646  1
  H  H56  1  1.113754  0.844125  0.272709  1
  H  H57  1  0.334399  0.677444  0.278668  1
  H  H58  1  0.468446  0.510831  0.260646  1
  H  H59  1  0.759076  0.844086  0.284764  1
  H  H60  1  1.043748  0.677521  0.254557  1
  H  H61  1  1.113754  0.510792  0.272709  1
  H  H62  1  0.334399  0.344110  0.278668  1
  H  H63  1  0.468446  0.177498  0.260646  1
  H  H64  1  0.689084  0.677479  0.266608  1
  H  H65  1  0.759076  0.510752  0.284764  1
  H  H66  1  1.043748  0.344188  0.254557  1
  H  H67  1  1.113754  0.177459  0.272709  1
  H  H68  1  0.334399  0.010777  0.278668  1
  H  H69  1  0.689084  0.344145  0.266608  1
  H  H70  1  0.759076  0.177419  0.284764  1
  H  H71  1  1.043748  0.010854  0.254557  1
  H  H72  1  0.689084  0.010812  0.266608  1
  H  H73  1  0.404400  0.844047  0.296824  1
  H  H74  1  1.049716  0.844010  0.308883  1
  H  H75  1  0.270348  0.677328  0.314841  1
  H  H76  1  0.404400  0.510714  0.296824  1
  H  H77  1  0.695035  0.843971  0.320941  1
  H  H78  1  0.979709  0.677405  0.290726  1
  H  H79  1  1.049716  0.510676  0.308883  1
  H  H80  1  0.270348  0.343995  0.314841  1
  H  H81  1  0.404400  0.177381  0.296824  1
  H  H82  1  0.625031  0.677366  0.302782  1
  H  H83  1  0.695035  0.510638  0.320941  1
  H  H84  1  0.979709  0.344072  0.290726  1
  H  H85  1  1.049716  0.177343  0.308883  1
  H  H86  1  0.270348  0.010661  0.314841  1
  H  H87  1  0.625031  0.344033  0.302782  1
  H  H88  1  0.695035  0.177304  0.320941  1
  H  H89  1  0.979709  0.010739  0.290726  1
  H  H90  1  0.625031  0.010700  0.302782  1
  H  H91  1  0.340353  0.843933  0.332999  1
  H  H92  1  0.985670  0.843894  0.345057  1
  H  H93  1  0.206300  0.677213  0.351014  1
  H  H94  1  0.340353  0.510599  0.332999  1
  H  H95  1  0.630988  0.843856  0.357115  1
  H  H96  1  0.915664  0.677290  0.326899  1
  H  H97  1  0.985670  0.510561  0.345057  1
  H  H98  1  0.206300  0.343880  0.351014  1
  H  H99  1  0.340353  0.177266  0.332999  1
  H  H100  1  0.560982  0.677252  0.338956  1
  H  H101  1  0.630988  0.510523  0.357115  1
  H  H102  1  0.915664  0.343957  0.326899  1
  H  H103  1  0.985670  0.177228  0.345057  1
  H  H104  1  0.206300  0.010547  0.351014  1
  H  H105  1  0.560982  0.343918  0.338956  1
  H  H106  1  0.630988  0.177189  0.357115  1
  H  H107  1  0.915664  0.010623  0.326899  1
  H  H108  1  0.560982  0.010585  0.338956  1
  H  H109  1  0.276306  0.843818  0.369173  1
  H  H110  1  0.921623  0.843780  0.381231  1
  H  H111  1  1.142252  0.677098  0.387188  1
  H  H112  1  0.276306  0.510484  0.369173  1
  H  H113  1  0.566942  0.843741  0.393288  1
  H  H114  1  0.851617  0.677175  0.363072  1
  H  H115  1  0.921623  0.510446  0.381231  1
  H  H116  1  1.142252  0.343765  0.387188  1
  H  H117  1  0.276306  0.177151  0.369173  1
  H  H118  1  0.496935  0.677137  0.375130  1
  H  H119  1  0.566942  0.510408  0.393288  1
  H  H120  1  0.851617  0.343842  0.363072  1
  H  H121  1  0.921623  0.177113  0.381231  1
  H  H122  1  1.142252  0.010432  0.387188  1
  H  H123  1  0.496935  0.343803  0.375130  1
  H  H124  1  0.566942  0.177074  0.393288  1
  H  H125  1  0.851617  0.010508  0.363072  1
  H  H126  1  0.496935  0.010470  0.375130  1
  H  H127  1  0.212257  0.843703  0.405346  1
  H  H128  1  0.857575  0.843665  0.417405  1
  H  H129  1  1.078205  0.676984  0.423363  1
  H  H130  1  0.212257  0.510370  0.405346  1
  H  H131  1  0.502897  0.843626  0.429461  1
  H  H132  1  0.787571  0.677060  0.399246  1
  H  H133  1  0.857575  0.510331  0.417405  1
  H  H134  1  1.078205  0.343650  0.423363  1
  H  H135  1  0.212257  0.177036  0.405346  1
  H  H136  1  0.432889  0.677021  0.411304  1
  H  H137  1  0.502897  0.510292  0.429461  1
  H  H138  1  0.787571  0.343727  0.399246  1
  H  H139  1  0.857575  0.176998  0.417405  1
  H  H140  1  1.078205  0.010317  0.423363  1
  H  H141  1  0.432889  0.343688  0.411304  1
  H  H142  1  0.502897  0.176959  0.429461  1
  H  H143  1  0.787571  0.010393  0.399246  1
  H  H144  1  0.432889  0.010355  0.411304  1
  H  H145  1  1.148206  0.843587  0.441519  1
  H  H146  1  0.793521  0.843553  0.453579  1
  H  H147  1  1.014159  0.676866  0.459541  1
  H  H148  1  1.148206  0.510254  0.441519  1
  H  H149  1  0.438858  0.843510  0.465630  1
  H  H150  1  0.723529  0.676946  0.435423  1
  H  H151  1  0.793521  0.510219  0.453579  1
  H  H152  1  1.014159  0.343533  0.459541  1
  H  H153  1  1.148206  0.176921  0.441519  1
  H  H154  1  0.368851  0.676906  0.447478  1
  H  H155  1  0.438858  0.510177  0.465630  1
  H  H156  1  0.723529  0.343612  0.435423  1
  H  H157  1  0.793521  0.176886  0.453579  1
  H  H158  1  1.014159  0.010200  0.459541  1
  H  H159  1  0.368851  0.343572  0.447478  1
  H  H160  1  0.438858  0.176844  0.465630  1
  H  H161  1  0.723529  0.010279  0.435423  1
  H  H162  1  0.368851  0.010239  0.447478  1
  H  H163  1  1.084134  0.843464  0.477687  1
  H  H164  1  0.729426  0.843475  0.489756  1
  H  H165  1  0.950203  0.676737  0.495723  1
  H  H166  1  1.084134  0.510131  0.477687  1
  H  H167  1  0.374744  0.843371  0.501781  1
  H  H168  1  0.659511  0.676843  0.471608  1
  H  H169  1  0.729426  0.510141  0.489756  1
  H  H170  1  0.950203  0.343404  0.495723  1
  H  H171  1  1.084134  0.176797  0.477687  1
  H  H172  1  0.304878  0.676778  0.483648  1
  H  H173  1  0.374744  0.510038  0.501781  1
  H  H174  1  0.659511  0.343510  0.471608  1
  H  H175  1  0.729426  0.176808  0.489756  1
  H  H176  1  0.950203  0.010071  0.495723  1
  H  H177  1  0.304878  0.343445  0.483648  1
  H  H178  1  0.374744  0.176705  0.501781  1
  H  H179  1  0.659511  0.010176  0.471608  1
  H  H180  1  0.304878  0.010112  0.483648  1
  H  H181  1  1.019836  0.843291  0.513814  1
  H  H182  1  0.664262  0.843525  0.525876  1
  H  H183  1  0.889203  0.676636  0.531829  1
  H  H184  1  1.019836  0.509958  0.513814  1
  H  H185  1  0.309486  0.842990  0.537815  1
  H  H186  1  0.596087  0.676844  0.507805  1
  H  H187  1  0.664262  0.510192  0.525876  1
  H  H188  1  0.889203  0.343303  0.531829  1
  H  H189  1  1.019836  0.176625  0.513814  1
  H  H190  1  0.242153  0.676473  0.519722  1
  H  H191  1  0.309486  0.509657  0.537815  1
  H  H192  1  0.596087  0.343510  0.507805  1
  H  H193  1  0.664262  0.176859  0.525876  1
  H  H194  1  0.889203  0.009970  0.531829  1
  H  H195  1  0.242153  0.343140  0.519722  1
  H  H196  1  0.309486  0.176323  0.537815  1
  H  H197  1  0.596087  0.010177  0.507805  1
  H  H198  1  0.242153  0.009807  0.519722  1
  H  H199  1  0.950967  0.843053  0.549698  1
  H  H200  1  0.596679  0.843854  0.562689  1
  H  H201  1  0.823960  0.676547  0.568837  1
  H  H202  1  0.950967  0.509719  0.549698  1
  H  H203  1  0.226490  0.841780  0.574585  1
  H  H204  1  0.536605  0.676976  0.543914  1
  H  H205  1  0.596679  0.510521  0.562689  1
  H  H206  1  0.823960  0.343214  0.568837  1
  H  H207  1  0.950967  0.176386  0.549698  1
  H  H208  1  0.185485  0.675620  0.555992  1
  H  H209  1  0.226490  0.508447  0.574585  1
  H  H210  1  0.536605  0.343643  0.543914  1
  H  H211  1  0.596679  0.177188  0.562689  1
  H  H212  1  0.823960  0.009880  0.568837  1
  H  H213  1  0.185485  0.342287  0.555992  1
  H  H214  1  0.226490  0.175113  0.574585  1
  H  H215  1  0.536605  0.010309  0.543914  1
  H  H216  1  0.185485  0.008954  0.555992  1
