# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12969192
_cell_length_b   12.77740096
_cell_length_c   47.23479051
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.56818845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   7517.75613264
_cell_formula_units_Z   144
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  0.687537  0.265504  0.310901  1
  H  H2  1  0.020870  0.932171  0.310901  1
  H  H3  1  0.059337  0.307156  0.292383  1
  H  H4  1  0.315738  0.223853  0.329420  1
  H  H5  1  0.649071  0.890519  0.329420  1
  H  H6  1  0.982404  0.557186  0.329420  1
  H  H7  1  0.354204  0.598838  0.310901  1
  H  H8  1  0.392670  0.973822  0.292383  1
  H  H9  1  0.726003  0.640489  0.292383  1
  H  H10  1  0.748211  0.068316  0.281692  1
  H  H11  1  0.081544  0.734982  0.281692  1
  H  H12  1  0.004611  0.985013  0.318729  1
  H  H13  1  0.376411  0.026664  0.300210  1
  H  H14  1  0.709744  0.693331  0.300210  1
  H  H15  1  0.043078  0.359998  0.300210  1
  H  H16  1  0.414877  0.401649  0.281692  1
  H  H17  1  0.337945  0.651680  0.318729  1
  H  H18  1  0.671278  0.318346  0.318729  1
  H  H19  1  0.911903  0.161315  0.283123  1
  H  H20  1  0.245236  0.827981  0.283123  1
  H  H21  1  0.168304  0.078012  0.320160  1
  H  H22  1  0.540104  0.119663  0.301642  1
  H  H23  1  0.873437  0.786330  0.301642  1
  H  H24  1  0.206770  0.452997  0.301642  1
  H  H25  1  0.578570  0.494648  0.283123  1
  H  H26  1  0.501637  0.744679  0.320160  1
  H  H27  1  0.834971  0.411345  0.320160  1
  H  H28  1  0.895644  0.214157  0.290951  1
  H  H29  1  0.228977  0.880823  0.290951  1
  H  H30  1  0.152045  0.130854  0.327988  1
  H  H31  1  0.523845  0.172505  0.309469  1
  H  H32  1  0.857178  0.839172  0.309469  1
  H  H33  1  0.190511  0.505839  0.309469  1
  H  H34  1  0.562311  0.547490  0.290951  1
  H  H35  1  0.485378  0.797520  0.327988  1
  H  H36  1  0.818712  0.464187  0.327988  1
  H  H37  1  0.572139  0.140550  0.366457  1
  H  H38  1  0.905472  0.807217  0.366457  1
  H  H39  1  0.943938  0.182201  0.347938  1
  H  H40  1  0.200339  0.098898  0.384975  1
  H  H41  1  0.533672  0.765565  0.384975  1
  H  H42  1  0.867006  0.432232  0.384975  1
  H  H43  1  0.238805  0.473883  0.366457  1
  H  H44  1  0.277271  0.848868  0.347938  1
  H  H45  1  0.610605  0.515535  0.347938  1
  H  H46  1  0.632812  0.943361  0.337247  1
  H  H47  1  0.966145  0.610028  0.337247  1
  H  H48  1  0.889213  0.860058  0.374284  1
  H  H49  1  0.261012  0.901710  0.355766  1
  H  H50  1  0.594346  0.568377  0.355766  1
  H  H51  1  0.927679  0.235043  0.355766  1
  H  H52  1  0.299479  0.276695  0.337247  1
  H  H53  1  0.222546  0.526725  0.374284  1
  H  H54  1  0.555879  0.193392  0.374284  1
  H  H55  1  0.796505  0.036360  0.338679  1
  H  H56  1  0.129838  0.703027  0.338679  1
  H  H57  1  0.052905  0.953057  0.375716  1
  H  H58  1  0.424705  0.994709  0.357197  1
  H  H59  1  0.758038  0.661376  0.357197  1
  H  H60  1  0.091372  0.328042  0.357197  1
  H  H61  1  0.463171  0.369694  0.338679  1
  H  H62  1  0.386239  0.619724  0.375716  1
  H  H63  1  0.719572  0.286391  0.375716  1
  H  H64  1  0.780245  0.089202  0.346506  1
  H  H65  1  0.113579  0.755869  0.346506  1
  H  H66  1  0.036646  0.005899  0.383543  1
  H  H67  1  0.408446  0.047551  0.365025  1
  H  H68  1  0.741779  0.714218  0.365025  1
  H  H69  1  0.075113  0.380884  0.365025  1
  H  H70  1  0.446912  0.422536  0.346506  1
  H  H71  1  0.369980  0.672566  0.383543  1
  H  H72  1  0.703313  0.339233  0.383543  1
  H  H73  1  0.456740  0.015595  0.422012  1
  H  H74  1  0.790073  0.682262  0.422012  1
  H  H75  1  0.828539  0.057247  0.403494  1
  H  H76  1  0.084940  0.973944  0.440531  1
  H  H77  1  0.418274  0.640611  0.440531  1
  H  H78  1  0.751607  0.307277  0.440531  1
  H  H79  1  0.123407  0.348929  0.422012  1
  H  H80  1  0.161873  0.723914  0.403494  1
  H  H81  1  0.495206  0.390580  0.403494  1
  H  H82  1  0.517413  0.818407  0.392803  1
  H  H83  1  0.850747  0.485074  0.392803  1
  H  H84  1  0.773814  0.735104  0.429840  1
  H  H85  1  0.145614  0.776756  0.411321  1
  H  H86  1  0.478947  0.443422  0.411321  1
  H  H87  1  0.812280  0.110089  0.411321  1
  H  H88  1  0.184080  0.151740  0.392803  1
  H  H89  1  0.107147  0.401771  0.429840  1
  H  H90  1  0.440481  0.068437  0.429840  1
  H  H91  1  0.681106  0.911406  0.394234  1
  H  H92  1  0.014439  0.578073  0.394234  1
  H  H93  1  0.937507  0.828103  0.431271  1
  H  H94  1  0.309306  0.869755  0.412753  1
  H  H95  1  0.642640  0.536421  0.412753  1
  H  H96  1  0.975973  0.203088  0.412753  1
  H  H97  1  0.347773  0.244739  0.394234  1
  H  H98  1  0.270840  0.494770  0.431271  1
  H  H99  1  0.604173  0.161436  0.431271  1
  H  H100  1  0.664847  0.964248  0.402062  1
  H  H101  1  0.998180  0.630915  0.402062  1
  H  H102  1  0.921248  0.880945  0.439099  1
  H  H103  1  0.293047  0.922596  0.420580  1
  H  H104  1  0.626381  0.589263  0.420580  1
  H  H105  1  0.959714  0.255930  0.420580  1
  H  H106  1  0.331513  0.297581  0.402062  1
  H  H107  1  0.254581  0.547612  0.439099  1
  H  H108  1  0.587914  0.214278  0.439099  1
  H  H109  1  0.341341  0.890641  0.477568  1
  H  H110  1  0.674675  0.557308  0.477568  1
  H  H111  1  0.713141  0.932293  0.459049  1
  H  H112  1  0.969542  0.848990  0.496086  1
  H  H113  1  0.302875  0.515656  0.496086  1
  H  H114  1  0.636208  0.182323  0.496086  1
  H  H115  1  0.008008  0.223974  0.477568  1
  H  H116  1  0.046474  0.598959  0.459049  1
  H  H117  1  0.379807  0.265626  0.459049  1
  H  H118  1  0.402015  0.693453  0.448358  1
  H  H119  1  0.735348  0.360119  0.448358  1
  H  H120  1  0.658415  0.610150  0.485395  1
  H  H121  1  0.030215  0.651801  0.466877  1
  H  H122  1  0.363548  0.318468  0.466877  1
  H  H123  1  0.696882  0.985135  0.466877  1
  H  H124  1  0.068681  0.026786  0.448358  1
  H  H125  1  0.991749  0.276816  0.485395  1
  H  H126  1  0.325082  0.943483  0.485395  1
  H  H127  1  0.565707  0.786452  0.449790  1
  H  H128  1  0.899041  0.453118  0.449790  1
  H  H129  1  0.822108  0.703149  0.486827  1
  H  H130  1  0.193908  0.744800  0.468308  1
  H  H131  1  0.527241  0.411467  0.468308  1
  H  H132  1  0.860574  0.078134  0.468308  1
  H  H133  1  0.232374  0.119785  0.449790  1
  H  H134  1  0.155441  0.369815  0.486827  1
  H  H135  1  0.488775  0.036482  0.486827  1
  H  H136  1  0.549448  0.839294  0.457617  1
  H  H137  1  0.882781  0.505960  0.457617  1
  H  H138  1  0.805849  0.755991  0.494654  1
  H  H139  1  0.177649  0.797642  0.476136  1
  H  H140  1  0.510982  0.464309  0.476136  1
  H  H141  1  0.844315  0.130975  0.476136  1
  H  H142  1  0.216115  0.172627  0.457617  1
  H  H143  1  0.139182  0.422657  0.494654  1
  H  H144  1  0.472516  0.089324  0.494654  1
  H  H145  1  0.225943  0.765687  0.533123  1
  H  H146  1  0.559276  0.432353  0.533123  1
  H  H147  1  0.597742  0.807338  0.514605  1
  H  H148  1  0.854143  0.724035  0.551642  1
  H  H149  1  0.187476  0.390702  0.551642  1
  H  H150  1  0.520810  0.057369  0.551642  1
  H  H151  1  0.892609  0.099020  0.533123  1
  H  H152  1  0.931075  0.474005  0.514605  1
  H  H153  1  0.264409  0.140672  0.514605  1
  H  H154  1  0.286616  0.568498  0.503914  1
  H  H155  1  0.619949  0.235165  0.503914  1
  H  H156  1  0.543017  0.485195  0.540951  1
  H  H157  1  0.914816  0.526847  0.522432  1
  H  H158  1  0.248150  0.193513  0.522432  1
  H  H159  1  0.581483  0.860180  0.522432  1
  H  H160  1  0.953283  0.901832  0.503914  1
  H  H161  1  0.876350  0.151862  0.540951  1
  H  H162  1  0.209683  0.818529  0.540951  1
  H  H163  1  0.450309  0.661497  0.505346  1
  H  H164  1  0.783642  0.328164  0.505346  1
  H  H165  1  0.706709  0.578194  0.542383  1
  H  H166  1  0.078509  0.619846  0.523864  1
  H  H167  1  0.411842  0.286512  0.523864  1
  H  H168  1  0.745176  0.953179  0.523864  1
  H  H169  1  0.116975  0.994831  0.505346  1
  H  H170  1  0.040043  0.244861  0.542383  1
  H  H171  1  0.373376  0.911528  0.542383  1
  H  H172  1  0.434049  0.714339  0.513173  1
  H  H173  1  0.767383  0.381006  0.513173  1
  H  H174  1  0.690450  0.631036  0.550210  1
  H  H175  1  0.062250  0.672688  0.531692  1
  H  H176  1  0.395583  0.339354  0.531692  1
  H  H177  1  0.728917  0.006021  0.531692  1
  H  H178  1  0.100716  0.047673  0.513173  1
  H  H179  1  0.023784  0.297703  0.550210  1
  H  H180  1  0.357117  0.964370  0.550210  1
  H  H181  1  0.110544  0.640732  0.588679  1
  H  H182  1  0.443877  0.307399  0.588679  1
  H  H183  1  0.482343  0.682384  0.570160  1
  H  H184  1  0.738744  0.599081  0.607197  1
  H  H185  1  0.072078  0.265748  0.607197  1
  H  H186  1  0.405411  0.932414  0.607197  1
  H  H187  1  0.777211  0.974066  0.588679  1
  H  H188  1  0.815677  0.349050  0.570160  1
  H  H189  1  0.149010  0.015717  0.570160  1
  H  H190  1  0.171217  0.443544  0.559469  1
  H  H191  1  0.504551  0.110211  0.559469  1
  H  H192  1  0.427618  0.360241  0.596506  1
  H  H193  1  0.799418  0.401892  0.577988  1
  H  H194  1  0.132751  0.068559  0.577988  1
  H  H195  1  0.466084  0.735226  0.577988  1
  H  H196  1  0.837884  0.776877  0.559469  1
  H  H197  1  0.760951  0.026908  0.596506  1
  H  H198  1  0.094285  0.693574  0.596506  1
  H  H199  1  0.334910  0.536543  0.560901  1
  H  H200  1  0.668243  0.203210  0.560901  1
  H  H201  1  0.591311  0.453240  0.597938  1
  H  H202  1  0.963110  0.494891  0.579420  1
  H  H203  1  0.296444  0.161558  0.579420  1
  H  H204  1  0.629777  0.828225  0.579420  1
  H  H205  1  0.001577  0.869876  0.560901  1
  H  H206  1  0.924644  0.119907  0.597938  1
  H  H207  1  0.257977  0.786573  0.597938  1
  H  H208  1  0.318651  0.589385  0.568729  1
  H  H209  1  0.651984  0.256051  0.568729  1
  H  H210  1  0.575052  0.506082  0.605766  1
  H  H211  1  0.946851  0.547733  0.587247  1
  H  H212  1  0.280185  0.214400  0.587247  1
  H  H213  1  0.613518  0.881067  0.587247  1
  H  H214  1  0.985317  0.922718  0.568729  1
  H  H215  1  0.908385  0.172749  0.605766  1
  H  H216  1  0.241718  0.839415  0.605766  1
  H  H217  1  0.995145  0.515778  0.644234  1
  H  H218  1  0.328479  0.182445  0.644234  1
  H  H219  1  0.366945  0.557429  0.625716  1
  H  H220  1  0.623346  0.474127  0.662753  1
  H  H221  1  0.956679  0.140793  0.662753  1
  H  H222  1  0.290012  0.807460  0.662753  1
  H  H223  1  0.661812  0.849111  0.644234  1
  H  H224  1  0.700278  0.224096  0.625716  1
  H  H225  1  0.033611  0.890763  0.625716  1
  H  H226  1  0.055819  0.318590  0.615025  1
  H  H227  1  0.389152  0.985256  0.615025  1
  H  H228  1  0.312220  0.235287  0.652062  1
  H  H229  1  0.684019  0.276938  0.633543  1
  H  H230  1  0.017352  0.943605  0.633543  1
  H  H231  1  0.350686  0.610271  0.633543  1
  H  H232  1  0.722485  0.651923  0.615025  1
  H  H233  1  0.645553  0.901953  0.652062  1
  H  H234  1  0.978886  0.568620  0.652062  1
  H  H235  1  0.219511  0.411589  0.616457  1
  H  H236  1  0.552845  0.078255  0.616457  1
  H  H237  1  0.475912  0.328286  0.653494  1
  H  H238  1  0.847712  0.369937  0.634975  1
  H  H239  1  0.181045  0.036604  0.634975  1
  H  H240  1  0.514378  0.703270  0.634975  1
  H  H241  1  0.886178  0.744922  0.616457  1
  H  H242  1  0.809245  0.994952  0.653494  1
  H  H243  1  0.142579  0.661619  0.653494  1
  H  H244  1  0.203252  0.464430  0.624284  1
  H  H245  1  0.536586  0.131097  0.624284  1
  H  H246  1  0.459653  0.381128  0.661321  1
  H  H247  1  0.831453  0.422779  0.642803  1
  H  H248  1  0.164786  0.089446  0.642803  1
  H  H249  1  0.498119  0.756112  0.642803  1
  H  H250  1  0.869919  0.797764  0.624284  1
  H  H251  1  0.792986  0.047794  0.661321  1
  H  H252  1  0.126320  0.714461  0.661321  1
  H  H253  1  0.879747  0.390824  0.699790  1
  H  H254  1  0.213080  0.057490  0.699790  1
  H  H255  1  0.251546  0.432475  0.681271  1
  H  H256  1  0.507947  0.349172  0.718308  1
  H  H257  1  0.841280  0.015839  0.718308  1
  H  H258  1  0.174614  0.682505  0.718308  1
  H  H259  1  0.546413  0.724157  0.699790  1
  H  H260  1  0.584879  0.099142  0.681271  1
  H  H261  1  0.918213  0.765808  0.681271  1
  H  H262  1  0.940420  0.193635  0.670580  1
  H  H263  1  0.273753  0.860302  0.670580  1
  H  H264  1  0.196821  0.110332  0.707617  1
  H  H265  1  0.568620  0.151984  0.689099  1
  H  H266  1  0.901954  0.818650  0.689099  1
  H  H267  1  0.235287  0.485317  0.689099  1
  H  H268  1  0.607087  0.526968  0.670580  1
  H  H269  1  0.530154  0.776999  0.707617  1
  H  H270  1  0.863488  0.443666  0.707617  1
  H  H271  1  0.104113  0.286634  0.672012  1
  H  H272  1  0.437446  0.953301  0.672012  1
  H  H273  1  0.360513  0.203331  0.709049  1
  H  H274  1  0.732313  0.244983  0.690531  1
  H  H275  1  0.065646  0.911649  0.690531  1
  H  H276  1  0.398980  0.578316  0.690531  1
  H  H277  1  0.770779  0.619967  0.672012  1
  H  H278  1  0.693847  0.869998  0.709049  1
  H  H279  1  0.027180  0.536665  0.709049  1
  H  H280  1  0.087854  0.339476  0.679840  1
  H  H281  1  0.421187  0.006143  0.679840  1
  H  H282  1  0.344254  0.256173  0.716877  1
  H  H283  1  0.716054  0.297825  0.698358  1
  H  H284  1  0.049387  0.964491  0.698358  1
  H  H285  1  0.382721  0.631158  0.698358  1
  H  H286  1  0.754520  0.672809  0.679840  1
  H  H287  1  0.677588  0.922840  0.716877  1
  H  H288  1  0.010921  0.589506  0.716877  1
