# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88584552
_cell_length_b   23.14285833
_cell_length_c   47.15254153
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.26835098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7510.71011364
_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  0.566675  0.922219  0.261425  1
  H  H2  1  0.900008  0.588885  0.261425  1
  H  H3  1  0.899134  0.923654  0.275591  1
  H  H4  1  0.233341  0.255552  0.261425  1
  H  H5  1  0.232467  0.590321  0.275591  1
  H  H6  1  0.213348  0.913790  0.290722  1
  H  H7  1  0.565800  0.256987  0.275591  1
  H  H8  1  0.546681  0.580457  0.290722  1
  H  H9  1  0.880015  0.247123  0.290722  1
  H  H10  1  0.695192  0.668441  0.277713  1
  H  H11  1  0.028525  0.335107  0.277713  1
  H  H12  1  0.021736  0.662747  0.294678  1
  H  H13  1  0.361859  0.001774  0.277713  1
  H  H14  1  0.355069  0.329414  0.294678  1
  H  H15  1  0.346882  0.663595  0.307711  1
  H  H16  1  0.688403  0.996080  0.294678  1
  H  H17  1  0.680216  0.330261  0.307711  1
  H  H18  1  0.013549  0.996928  0.307711  1
  H  H19  1  0.843655  0.745682  0.308242  1
  H  H20  1  0.176988  0.412349  0.308242  1
  H  H21  1  0.190493  0.751701  0.284956  1
  H  H22  1  0.510321  0.079016  0.308242  1
  H  H23  1  0.523827  0.418367  0.284956  1
  H  H24  1  0.523456  0.750284  0.296189  1
  H  H25  1  0.857160  0.085034  0.284956  1
  H  H26  1  0.856789  0.416951  0.296189  1
  H  H27  1  0.190122  0.083618  0.296189  1
  H  H28  1  0.730900  0.835004  0.282910  1
  H  H29  1  0.064233  0.501671  0.282910  1
  H  H30  1  0.068279  0.837851  0.260139  1
  H  H31  1  0.397566  0.168338  0.282910  1
  H  H32  1  0.401612  0.504518  0.260139  1
  H  H33  1  0.401205  0.835193  0.273256  1
  H  H34  1  0.734946  0.171184  0.260139  1
  H  H35  1  0.734538  0.501859  0.273256  1
  H  H36  1  0.067872  0.168526  0.273256  1
  H  H37  1  0.519009  0.909932  0.307531  1
  H  H38  1  0.852343  0.576599  0.307531  1
  H  H39  1  0.826599  0.910872  0.321448  1
  H  H40  1  0.185676  0.243266  0.307531  1
  H  H41  1  0.159932  0.577538  0.321448  1
  H  H42  1  0.131217  0.906793  0.336748  1
  H  H43  1  0.493266  0.244205  0.321448  1
  H  H44  1  0.464551  0.573460  0.336748  1
  H  H45  1  0.797884  0.240126  0.336748  1
  H  H46  1  0.654965  0.657658  0.324302  1
  H  H47  1  0.988299  0.324325  0.324302  1
  H  H48  1  0.956046  0.653697  0.340777  1
  H  H49  1  0.321632  0.990991  0.324302  1
  H  H50  1  0.289379  0.320364  0.340777  1
  H  H51  1  0.263013  0.651727  0.354347  1
  H  H52  1  0.622713  0.987031  0.340777  1
  H  H53  1  0.596346  0.318394  0.354347  1
  H  H54  1  0.929680  0.985061  0.354347  1
  H  H55  1  0.758965  0.733798  0.354994  1
  H  H56  1  0.092299  0.400465  0.354994  1
  H  H57  1  0.132343  0.739805  0.331399  1
  H  H58  1  0.425632  0.067132  0.354994  1
  H  H59  1  0.465677  0.406471  0.331399  1
  H  H60  1  0.449315  0.736915  0.342052  1
  H  H61  1  0.799010  0.073138  0.331399  1
  H  H62  1  0.782649  0.403582  0.342052  1
  H  H63  1  0.115982  0.070248  0.342052  1
  H  H64  1  0.646237  0.823269  0.328941  1
  H  H65  1  0.979570  0.489936  0.328941  1
  H  H66  1  0.019330  0.832723  0.306561  1
  H  H67  1  0.312903  0.156603  0.328941  1
  H  H68  1  0.352663  0.499390  0.306561  1
  H  H69  1  0.329005  0.825472  0.319287  1
  H  H70  1  0.685997  0.166056  0.306561  1
  H  H71  1  0.662339  0.492139  0.319287  1
  H  H72  1  0.995672  0.158806  0.319287  1
  H  H73  1  0.433821  0.900893  0.351824  1
  H  H74  1  0.767154  0.567559  0.351824  1
  H  H75  1  0.738844  0.898727  0.366150  1
  H  H76  1  0.100488  0.234226  0.351824  1
  H  H77  1  0.072177  0.565393  0.366150  1
  H  H78  1  0.041871  0.894557  0.381848  1
  H  H79  1  0.405511  0.232060  0.366150  1
  H  H80  1  0.375205  0.561224  0.381848  1
  H  H81  1  0.708538  0.227891  0.381848  1
  H  H82  1  0.566665  0.647763  0.369192  1
  H  H83  1  0.899998  0.314429  0.369192  1
  H  H84  1  0.866703  0.642870  0.385526  1
  H  H85  1  0.233332  0.981096  0.369192  1
  H  H86  1  0.200036  0.309537  0.385526  1
  H  H87  1  0.172740  0.640306  0.399934  1
  H  H88  1  0.533369  0.976204  0.385526  1
  H  H89  1  0.506074  0.306972  0.399934  1
  H  H90  1  0.839407  0.973639  0.399934  1
  H  H91  1  0.670354  0.722859  0.400949  1
  H  H92  1  1.003687  0.389525  0.400949  1
  H  H93  1  0.047423  0.729048  0.376625  1
  H  H94  1  0.337021  0.056192  0.400949  1
  H  H95  1  0.380756  0.395715  0.376625  1
  H  H96  1  0.361637  0.726439  0.387290  1
  H  H97  1  0.714089  0.062382  0.376625  1
  H  H98  1  0.694970  0.393105  0.387290  1
  H  H99  1  0.028304  0.059772  0.387290  1
  H  H100  1  0.557222  0.812063  0.374239  1
  H  H101  1  0.890556  0.478729  0.374239  1
  H  H102  1  0.933829  0.819056  0.350360  1
  H  H103  1  0.223889  0.145396  0.374239  1
  H  H104  1  0.267162  0.485723  0.350360  1
  H  H105  1  0.242332  0.815049  0.363873  1
  H  H106  1  0.600496  0.152389  0.350360  1
  H  H107  1  0.575665  0.481716  0.363873  1
  H  H108  1  0.908998  0.148382  0.363873  1
  H  H109  1  0.347220  0.890297  0.396436  1
  H  H110  1  0.680554  0.556964  0.396436  1
  H  H111  1  0.651559  0.888027  0.411231  1
  H  H112  1  0.013887  0.223631  0.396436  1
  H  H113  1  0.984892  0.554693  0.411231  1
  H  H114  1  0.953884  0.883768  0.427163  1
  H  H115  1  0.318226  0.221360  0.411231  1
  H  H116  1  0.287217  0.550435  0.427163  1
  H  H117  1  0.620551  0.217101  0.427163  1
  H  H118  1  0.478807  0.636751  0.414125  1
  H  H119  1  0.812140  0.303417  0.414125  1
  H  H120  1  0.779669  0.632278  0.430515  1
  H  H121  1  0.145473  0.970084  0.414125  1
  H  H122  1  0.113003  0.298945  0.430515  1
  H  H123  1  0.084597  0.629443  0.445408  1
  H  H124  1  0.446336  0.965612  0.430515  1
  H  H125  1  0.417930  0.296110  0.445408  1
  H  H126  1  0.751264  0.962776  0.445408  1
  H  H127  1  0.582663  0.711944  0.446585  1
  H  H128  1  0.915997  0.378610  0.446585  1
  H  H129  1  0.961088  0.718201  0.421672  1
  H  H130  1  0.249330  0.045277  0.446585  1
  H  H131  1  0.294421  0.384868  0.421672  1
  H  H132  1  0.275141  0.715629  0.432543  1
  H  H133  1  0.627755  0.051534  0.421672  1
  H  H134  1  0.608474  0.382295  0.432543  1
  H  H135  1  0.941808  0.048962  0.432543  1
  H  H136  1  0.469908  0.801652  0.419683  1
  H  H137  1  0.803241  0.468318  0.419683  1
  H  H138  1  0.847978  0.808498  0.394999  1
  H  H139  1  0.136574  0.134985  0.419683  1
  H  H140  1  0.181311  0.475165  0.394999  1
  H  H141  1  0.155810  0.804461  0.408914  1
  H  H142  1  0.514645  0.141831  0.394999  1
  H  H143  1  0.489143  0.471128  0.408914  1
  H  H144  1  0.822476  0.137794  0.408914  1
  H  H145  1  0.260115  0.879850  0.441297  1
  H  H146  1  0.593448  0.546517  0.441297  1
  H  H147  1  0.564136  0.877101  0.456321  1
  H  H148  1  0.926781  0.213183  0.441297  1
  H  H149  1  0.897469  0.543768  0.456321  1
  H  H150  1  0.865792  0.872845  0.472415  1
  H  H151  1  0.230803  0.210434  0.456321  1
  H  H152  1  0.199125  0.539511  0.472415  1
  H  H153  1  0.532458  0.206178  0.472415  1
  H  H154  1  0.391339  0.625902  0.459295  1
  H  H155  1  0.724672  0.292569  0.459295  1
  H  H156  1  0.692443  0.621536  0.475534  1
  H  H157  1  0.058006  0.959236  0.459295  1
  H  H158  1  0.025776  0.288202  0.475534  1
  H  H159  1  0.996517  0.618661  0.490600  1
  H  H160  1  0.359109  0.954869  0.475534  1
  H  H161  1  0.329850  0.285328  0.490600  1
  H  H162  1  0.663183  0.951994  0.490600  1
  H  H163  1  0.494920  0.701061  0.491914  1
  H  H164  1  0.828254  0.367728  0.491914  1
  H  H165  1  0.874373  0.707537  0.466802  1
  H  H166  1  0.161587  0.034394  0.491914  1
  H  H167  1  0.207706  0.374204  0.466802  1
  H  H168  1  0.187915  0.704867  0.477733  1
  H  H169  1  0.541040  0.040871  0.466802  1
  H  H170  1  0.521249  0.371534  0.477733  1
  H  H171  1  0.854582  0.038200  0.477733  1
  H  H172  1  0.382059  0.790979  0.464939  1
  H  H173  1  0.715392  0.457646  0.464939  1
  H  H174  1  0.761417  0.797610  0.439884  1
  H  H175  1  0.048725  0.124312  0.464939  1
  H  H176  1  0.094750  0.464277  0.439884  1
  H  H177  1  0.068492  0.793719  0.454020  1
  H  H178  1  0.428084  0.130944  0.439884  1
  H  H179  1  0.401825  0.460386  0.454020  1
  H  H180  1  0.735159  0.127052  0.454020  1
  H  H181  1  0.172472  0.869158  0.486308  1
  H  H182  1  0.505805  0.535825  0.486308  1
  H  H183  1  0.476546  0.866284  0.501374  1
  H  H184  1  0.839139  0.202492  0.486308  1
  H  H185  1  0.809879  0.532950  0.501374  1
  H  H186  1  0.777650  0.861917  0.517614  1
  H  H187  1  0.143213  0.199617  0.501374  1
  H  H188  1  0.110983  0.528584  0.517614  1
  H  H189  1  0.444317  0.195250  0.517614  1
  H  H190  1  0.303197  0.614975  0.504493  1
  H  H191  1  0.636530  0.281641  0.504493  1
  H  H192  1  0.604853  0.610718  0.520587  1
  H  H193  1  0.969864  0.948308  0.504493  1
  H  H194  1  0.938186  0.277385  0.520587  1
  H  H195  1  0.908874  0.607969  0.535611  1
  H  H196  1  0.271519  0.944052  0.520587  1
  H  H197  1  0.242207  0.274636  0.535611  1
  H  H198  1  0.575541  0.941303  0.535611  1
  H  H199  1  0.407572  0.690209  0.537024  1
  H  H200  1  0.740905  0.356876  0.537024  1
  H  H201  1  0.786930  0.696840  0.511969  1
  H  H202  1  0.074238  0.023543  0.537024  1
  H  H203  1  0.120263  0.363507  0.511969  1
  H  H204  1  0.100497  0.694101  0.522888  1
  H  H205  1  0.453597  0.030174  0.511969  1
  H  H206  1  0.433830  0.360767  0.522888  1
  H  H207  1  0.767163  0.027434  0.522888  1
  H  H208  1  0.294616  0.780282  0.510106  1
  H  H209  1  0.627949  0.446949  0.510106  1
  H  H210  1  0.674068  0.786759  0.484994  1
  H  H211  1  0.961282  0.113616  0.510106  1
  H  H212  1  1.007402  0.453425  0.484994  1
  H  H213  1  0.981073  0.782952  0.499176  1
  H  H214  1  0.340735  0.120092  0.484994  1
  H  H215  1  0.314407  0.449619  0.499176  1
  H  H216  1  0.647740  0.116286  0.499176  1
  H  H217  1  0.084392  0.858376  0.531500  1
  H  H218  1  0.417725  0.525043  0.531500  1
  H  H219  1  0.389319  0.855541  0.546393  1
  H  H220  1  0.751058  0.191710  0.531500  1
  H  H221  1  0.722653  0.522208  0.546393  1
  H  H222  1  0.690182  0.851069  0.562783  1
  H  H223  1  0.055986  0.188874  0.546393  1
  H  H224  1  0.023515  0.517735  0.562783  1
  H  H225  1  0.356849  0.184402  0.562783  1
  H  H226  1  0.215105  0.604051  0.549745  1
  H  H227  1  0.548438  0.270718  0.549745  1
  H  H228  1  0.517430  0.599793  0.565677  1
  H  H229  1  0.881771  0.937385  0.549745  1
  H  H230  1  0.850763  0.266459  0.565677  1
  H  H231  1  0.821768  0.597522  0.580472  1
  H  H232  1  0.184096  0.933126  0.565677  1
  H  H233  1  0.155102  0.264189  0.580472  1
  H  H234  1  0.488435  0.930855  0.580472  1
  H  H235  1  0.321011  0.679321  0.581909  1
  H  H236  1  0.654344  0.345988  0.581909  1
  H  H237  1  0.699081  0.686168  0.557226  1
  H  H238  1  0.987677  0.012655  0.581909  1
  H  H239  1  0.032414  0.352834  0.557226  1
  H  H240  1  0.013179  0.683358  0.567995  1
  H  H241  1  0.365748  0.019501  0.557226  1
  H  H242  1  0.346512  0.350025  0.567995  1
  H  H243  1  0.679846  0.016692  0.567995  1
  H  H244  1  0.207901  0.769618  0.555237  1
  H  H245  1  0.541234  0.436285  0.555237  1
  H  H246  1  0.586325  0.775876  0.530324  1
  H  H247  1  0.874567  0.102952  0.555237  1
  H  H248  1  0.919659  0.442542  0.530324  1
  H  H249  1  0.893848  0.772191  0.544365  1
  H  H250  1  0.252992  0.109209  0.530324  1
  H  H251  1  0.227181  0.438857  0.544365  1
  H  H252  1  0.560514  0.105524  0.544365  1
  H  H253  1  0.996248  0.847514  0.576975  1
  H  H254  1  0.329582  0.514180  0.576975  1
  H  H255  1  0.302286  0.844949  0.591382  1
  H  H256  1  0.662915  0.180847  0.576975  1
  H  H257  1  0.635620  0.511616  0.591382  1
  H  H258  1  0.602324  0.840057  0.607717  1
  H  H259  1  0.968953  0.178282  0.591382  1
  H  H260  1  0.935657  0.506724  0.607717  1
  H  H261  1  0.268990  0.173390  0.607717  1
  H  H262  1  0.127117  0.593262  0.595061  1
  H  H263  1  0.460451  0.259929  0.595061  1
  H  H264  1  0.430145  0.589093  0.610759  1
  H  H265  1  0.793784  0.926595  0.595061  1
  H  H266  1  0.763478  0.255759  0.610759  1
  H  H267  1  0.735168  0.586927  0.625084  1
  H  H268  1  0.096811  0.922426  0.610759  1
  H  H269  1  0.068501  0.253593  0.625084  1
  H  H270  1  0.401835  0.920260  0.625084  1
  H  H271  1  0.235160  0.668764  0.626548  1
  H  H272  1  0.568493  0.335430  0.626548  1
  H  H273  1  0.611766  0.675757  0.602670  1
  H  H274  1  0.901826  0.002097  0.626548  1
  H  H275  1  0.945100  0.342424  0.602670  1
  H  H276  1  0.926657  0.672770  0.613035  1
  H  H277  1  0.278433  0.009090  0.602670  1
  H  H278  1  0.259990  0.339437  0.613035  1
  H  H279  1  0.593324  0.006104  0.613035  1
  H  H280  1  0.121566  0.758771  0.600284  1
  H  H281  1  0.454900  0.425438  0.600284  1
  H  H282  1  0.498635  0.764961  0.575959  1
  H  H283  1  0.788233  0.092104  0.600284  1
  H  H284  1  0.831968  0.431627  0.575959  1
  H  H285  1  0.807352  0.761381  0.589619  1
  H  H286  1  0.165301  0.098294  0.575959  1
  H  H287  1  0.140685  0.428047  0.589619  1
  H  H288  1  0.474018  0.094714  0.589619  1
  H  H289  1  0.905976  0.836092  0.622562  1
  H  H290  1  0.239309  0.502759  0.622562  1
  H  H291  1  0.212943  0.834122  0.636131  1
  H  H292  1  0.572642  0.169425  0.622562  1
  H  H293  1  0.546276  0.500789  0.636131  1
  H  H294  1  0.514023  0.830161  0.652606  1
  H  H295  1  0.879610  0.167455  0.636131  1
  H  H296  1  0.847357  0.496828  0.652606  1
  H  H297  1  0.180690  0.163495  0.652606  1
  H  H298  1  0.037771  0.581026  0.640160  1
  H  H299  1  0.371105  0.247693  0.640160  1
  H  H300  1  0.342390  0.576948  0.655460  1
  H  H301  1  0.704438  0.914360  0.640160  1
  H  H302  1  0.675723  0.243614  0.655460  1
  H  H303  1  0.649979  0.577887  0.669377  1
  H  H304  1  0.009056  0.910281  0.655460  1
  H  H305  1  0.983313  0.244554  0.669377  1
  H  H306  1  0.316646  0.911220  0.669377  1
  H  H307  1  0.149659  0.655097  0.670347  1
  H  H308  1  0.482992  0.321763  0.670347  1
  H  H309  1  0.522752  0.664550  0.647968  1
  H  H310  1  0.816325  0.988430  0.670347  1
  H  H311  1  0.856085  0.331217  0.647968  1
  H  H312  1  0.839984  0.662347  0.657622  1
  H  H313  1  0.189419  0.997884  0.647968  1
  H  H314  1  0.173317  0.329014  0.657622  1
  H  H315  1  0.506650  0.995680  0.657622  1
  H  H316  1  0.036645  0.748015  0.645510  1
  H  H317  1  0.369979  0.414681  0.645510  1
  H  H318  1  0.410023  0.754021  0.621914  1
  H  H319  1  0.703312  0.081348  0.645510  1
  H  H320  1  0.743357  0.420688  0.621914  1
  H  H321  1  0.719673  0.750904  0.634856  1
  H  H322  1  0.076690  0.087355  0.621914  1
  H  H323  1  0.053007  0.417571  0.634856  1
  H  H324  1  0.386340  0.084238  0.634856  1
  H  H325  1  0.822106  0.824225  0.669198  1
  H  H326  1  0.155440  0.490891  0.669198  1
  H  H327  1  0.147253  0.825072  0.682230  1
  H  H328  1  0.488773  0.157558  0.669198  1
  H  H329  1  0.480586  0.491739  0.682230  1
  H  H330  1  0.473797  0.819379  0.699195  1
  H  H331  1  0.813919  0.158406  0.682230  1
  H  H332  1  0.807130  0.486046  0.699195  1
  H  H333  1  0.140463  0.152712  0.699195  1
  H  H334  1  0.955641  0.574029  0.686186  1
  H  H335  1  0.288974  0.240696  0.686186  1
  H  H336  1  0.269855  0.564166  0.701317  1
  H  H337  1  0.622307  0.907363  0.686186  1
  H  H338  1  0.603188  0.230832  0.701317  1
  H  H339  1  0.602314  0.565601  0.715483  1
  H  H340  1  0.936522  0.897499  0.701317  1
  H  H341  1  0.935647  0.232267  0.715483  1
  H  H342  1  0.268981  0.898934  0.715483  1
  H  H343  1  0.100710  0.649969  0.716770  1
  H  H344  1  0.434043  0.316635  0.716770  1
  H  H345  1  0.438089  0.652815  0.693998  1
  H  H346  1  0.767376  0.983302  0.716770  1
  H  H347  1  0.771422  0.319482  0.693998  1
  H  H348  1  0.767784  0.652627  0.703652  1
  H  H349  1  0.104756  0.986148  0.693998  1
  H  H350  1  0.101117  0.319293  0.703652  1
  H  H351  1  0.434450  0.985960  0.703652  1
  H  H352  1  0.978495  0.736119  0.691953  1
  H  H353  1  0.311829  0.402785  0.691953  1
  H  H354  1  0.325334  0.742137  0.668667  1
  H  H355  1  0.645162  0.069452  0.691953  1
  H  H356  1  0.658667  0.408804  0.668667  1
  H  H357  1  0.645533  0.737535  0.680720  1
  H  H358  1  0.992001  0.075470  0.668667  1
  H  H359  1  0.978866  0.404202  0.680720  1
  H  H360  1  0.312200  0.070868  0.680720  1
