# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68347514
_cell_length_b   16.13350769
_cell_length_c   47.19145971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7258.3356922
_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  0.935282  0.745379  0.273390  1
  H  H2  1  0.605804  0.576153  0.273655  1
  H  H3  1  0.550140  0.725907  0.287559  1
  H  H4  1  0.933451  0.247344  0.266284  1
  H  H5  1  0.867997  0.401261  0.279393  1
  H  H6  1  0.822603  0.546491  0.296759  1
  H  H7  1  0.273621  0.408010  0.267723  1
  H  H8  1  0.203150  0.565999  0.279978  1
  H  H9  1  0.153518  0.714783  0.296613  1
  H  H10  1  0.608553  0.077641  0.267245  1
  H  H11  1  0.539479  0.233890  0.281559  1
  H  H12  1  0.487821  0.378720  0.299934  1
  H  H13  1  0.882937  0.893100  0.287996  1
  H  H14  1  0.827933  0.042734  0.303177  1
  H  H15  1  0.272347  0.909651  0.274940  1
  H  H16  1  0.218476  0.057577  0.289303  1
  H  H17  1  0.163562  0.206807  0.303988  1
  H  H18  1  0.493451  0.875312  0.302187  1
  H  H19  1  0.773201  0.660642  0.266414  1
  H  H20  1  0.436502  0.495628  0.272131  1
  H  H21  1  0.379187  0.644733  0.287331  1
  H  H22  1  0.769530  0.162202  0.273932  1
  H  H23  1  0.715557  0.309789  0.289197  1
  H  H24  1  0.660364  0.458088  0.303948  1
  H  H25  1  0.103648  0.325900  0.274743  1
  H  H26  1  0.050989  0.474066  0.288411  1
  H  H27  1  -0.006412  0.625746  0.302777  1
  H  H28  1  0.441707  0.990882  0.270269  1
  H  H29  1  0.380728  0.143757  0.283587  1
  H  H30  1  0.322526  0.293756  0.299046  1
  H  H31  1  0.702615  0.818210  0.279117  1
  H  H32  1  0.655627  0.963459  0.296844  1
  H  H33  1  0.102901  0.829788  0.266389  1
  H  H34  1  0.036454  0.984868  0.279371  1
  H  H35  1  -0.010999  0.131678  0.296394  1
  H  H36  1  0.327342  0.791953  0.303489  1
  H  H37  1  0.775254  0.705777  0.311902  1
  H  H38  1  0.448416  0.534590  0.318315  1
  H  H39  1  0.401442  0.682904  0.334057  1
  H  H40  1  0.786899  0.197217  0.320451  1
  H  H41  1  0.737474  0.347714  0.335642  1
  H  H42  1  0.691639  0.500822  0.349851  1
  H  H43  1  0.120543  0.363959  0.320808  1
  H  H44  1  0.068193  0.515543  0.334730  1
  H  H45  1  0.023667  0.668169  0.349223  1
  H  H46  1  0.448582  0.032611  0.316379  1
  H  H47  1  0.397126  0.184180  0.329936  1
  H  H48  1  0.349224  0.340899  0.343618  1
  H  H49  1  0.728029  0.853637  0.326617  1
  H  H50  1  0.681011  1.008321  0.342318  1
  H  H51  1  0.108504  0.872842  0.312309  1
  H  H52  1  0.060364  0.021478  0.326755  1
  H  H53  1  0.014906  0.174997  0.342397  1
  H  H54  1  0.357583  0.834873  0.349928  1
  H  H55  1  0.618998  0.614517  0.319845  1
  H  H56  1  0.275389  0.454644  0.313110  1
  H  H57  1  0.225443  0.604637  0.326837  1
  H  H58  1  0.609729  0.121560  0.313048  1
  H  H59  1  0.563330  0.269092  0.329211  1
  H  H60  1  0.518836  0.421629  0.346141  1
  H  H61  1  0.943026  0.288543  0.312352  1
  H  H62  1  0.894242  0.436566  0.326769  1
  H  H63  1  0.846335  0.592145  0.341962  1
  H  H64  1  0.286432  0.947486  0.321153  1
  H  H65  1  0.238070  0.097537  0.335797  1
  H  H66  1  0.192499  0.250857  0.350266  1
  H  H67  1  0.568914  0.765290  0.333981  1
  H  H68  1  0.521933  0.919837  0.347341  1
  H  H69  1  0.952620  0.781465  0.319746  1
  H  H70  1  0.902732  0.932261  0.334696  1
  H  H71  1  0.858527  0.083998  0.349795  1
  H  H72  1  0.180062  0.759247  0.342284  1
  H  H73  1  0.645164  0.654876  0.365288  1
  H  H74  1  0.302311  0.495195  0.358233  1
  H  H75  1  0.254846  0.647737  0.372548  1
  H  H76  1  0.637612  0.159703  0.359137  1
  H  H77  1  0.592125  0.311554  0.375519  1
  H  H78  1  0.548505  0.462468  0.392750  1
  H  H79  1  0.969608  0.327422  0.358166  1
  H  H80  1  0.920888  0.480320  0.372513  1
  H  H81  1  0.875107  0.632872  0.387843  1
  H  H82  1  0.313702  0.987677  0.366610  1
  H  H83  1  0.267139  0.140443  0.381463  1
  H  H84  1  0.220297  0.293080  0.396362  1
  H  H85  1  0.596642  0.808570  0.379061  1
  H  H86  1  0.548082  0.962282  0.392654  1
  H  H87  1  0.978194  0.821672  0.365421  1
  H  H88  1  0.931958  0.973615  0.380745  1
  H  H89  1  0.886434  0.125421  0.396203  1
  H  H90  1  0.209078  0.800414  0.388197  1
  H  H91  1  0.477282  0.573490  0.364049  1
  H  H92  1  0.146047  0.405271  0.366085  1
  H  H93  1  0.098257  0.557506  0.380490  1
  H  H94  1  0.473538  0.074186  0.361411  1
  H  H95  1  0.424724  0.229183  0.374544  1
  H  H96  1  0.376591  0.383176  0.388880  1
  H  H97  1  0.813254  0.237009  0.366207  1
  H  H98  1  0.766328  0.389846  0.381228  1
  H  H99  1  0.719033  0.542707  0.395884  1
  H  H100  1  0.135059  0.911910  0.358117  1
  H  H101  1  0.088776  0.063818  0.372971  1
  H  H102  1  0.043533  0.216090  0.388446  1
  H  H103  1  0.431235  0.724768  0.380110  1
  H  H104  1  0.386133  0.876408  0.396286  1
  H  H105  1  0.801682  0.744312  0.357583  1
  H  H106  1  0.754586  0.897090  0.372503  1
  H  H107  1  0.709624  0.048797  0.388587  1
  H  H108  1  0.052033  0.709794  0.395467  1
  H  H109  1  0.505025  0.614770  0.410075  1
  H  H110  1  0.173885  0.446687  0.411689  1
  H  H111  1  0.126260  0.598969  0.426451  1
  H  H112  1  0.500285  0.117665  0.406126  1
  H  H113  1  0.451417  0.271486  0.419828  1
  H  H114  1  0.404137  0.425356  0.434348  1
  H  H115  1  0.841342  0.278653  0.411945  1
  H  H116  1  0.793928  0.431480  0.427025  1
  H  H117  1  0.746806  0.584972  0.441534  1
  H  H118  1  0.163489  0.953480  0.403900  1
  H  H119  1  0.117369  0.105415  0.419071  1
  H  H120  1  0.071145  0.257998  0.434400  1
  H  H121  1  0.459621  0.766014  0.426372  1
  H  H122  1  0.414529  0.918460  0.442400  1
  H  H123  1  0.829095  0.786335  0.403210  1
  H  H124  1  0.783203  0.938233  0.418692  1
  H  H125  1  0.738102  0.090614  0.434782  1
  H  H126  1  0.080360  0.751445  0.441586  1
  H  H127  1  0.329878  0.537112  0.403649  1
  H  H128  1  -0.003195  0.369542  0.403772  1
  H  H129  1  0.949263  0.521744  0.418475  1
  H  H130  1  0.341516  0.029763  0.412285  1
  H  H131  1  0.294899  0.182136  0.427403  1
  H  H132  1  0.248161  0.334991  0.442320  1
  H  H133  1  0.665652  0.201510  0.405244  1
  H  H134  1  0.621074  0.352502  0.422064  1
  H  H135  1  0.577108  0.504067  0.439221  1
  H  H136  1  0.006800  0.862792  0.411285  1
  H  H137  1  0.960435  1.014887  0.426872  1
  H  H138  1  0.914796  0.167206  0.442314  1
  H  H139  1  0.282890  0.689365  0.418570  1
  H  H140  1  0.237189  0.842163  0.434192  1
  H  H141  1  0.672349  0.697054  0.410522  1
  H  H142  1  0.623495  0.850715  0.424265  1
  H  H143  1  0.575092  1.005352  0.437597  1
  H  H144  1  0.902867  0.674868  0.433637  1
  H  H145  1  0.357323  0.578608  0.449382  1
  H  H146  1  0.024288  0.410921  0.449550  1
  H  H147  1  0.977103  0.563617  0.464355  1
  H  H148  1  0.369208  0.071194  0.458165  1
  H  H149  1  0.322743  0.223886  0.473296  1
  H  H150  1  0.275831  0.376590  0.488194  1
  H  H151  1  0.694003  0.242514  0.451571  1
  H  H152  1  0.649589  0.393941  0.468545  1
  H  H153  1  0.605534  0.545277  0.485654  1
  H  H154  1  0.034604  0.904048  0.457310  1
  H  H155  1  -0.011383  0.056396  0.472946  1
  H  H156  1  0.942568  0.208884  0.488310  1
  H  H157  1  0.311045  0.731112  0.464580  1
  H  H158  1  0.265166  0.883710  0.480203  1
  H  H159  1  0.699059  0.739015  0.455787  1
  H  H160  1  0.650442  0.893357  0.469258  1
  H  H161  1  0.601793  0.047790  0.482628  1
  H  H162  1  0.930715  0.716369  0.479516  1
  H  H163  1  0.201324  0.488030  0.457450  1
  H  H164  1  0.868693  0.320221  0.457781  1
  H  H165  1  0.821574  0.473463  0.472698  1
  H  H166  1  0.191431  0.994835  0.449848  1
  H  H167  1  0.145262  0.147005  0.465152  1
  H  H168  1  0.098769  0.299552  0.480286  1
  H  H169  1  0.526826  0.159895  0.451220  1
  H  H170  1  0.478752  0.313716  0.465248  1
  H  H171  1  0.431486  0.467164  0.480014  1
  H  H172  1  0.857071  0.827561  0.449111  1
  H  H173  1  0.811434  0.979963  0.464818  1
  H  H174  1  0.766449  0.131930  0.481058  1
  H  H175  1  0.154389  0.640582  0.472406  1
  H  H176  1  0.108362  0.792927  0.487663  1
  H  H177  1  0.533110  0.655792  0.456284  1
  H  H178  1  0.487970  0.807700  0.472557  1
  H  H179  1  0.442688  0.959991  0.488478  1
  H  H180  1  0.773927  0.627039  0.487029  1
  H  H181  1  0.228911  0.529595  0.503262  1
  H  H182  1  0.896192  0.361994  0.503532  1
  H  H183  1  0.848909  0.515452  0.518284  1
  H  H184  1  0.219338  0.036210  0.495895  1
  H  H185  1  0.173308  0.188564  0.511146  1
  H  H186  1  0.126356  0.341118  0.526096  1
  H  H187  1  0.553725  0.202136  0.496498  1
  H  H188  1  0.506096  0.355702  0.510841  1
  H  H189  1  0.458994  0.508933  0.525768  1
  H  H190  1  0.885020  0.869153  0.495082  1
  H  H191  1  0.839751  0.021439  0.511013  1
  H  H192  1  0.794616  0.173337  0.527294  1
  H  H193  1  0.182425  0.682134  0.518405  1
  H  H194  1  0.136268  0.834303  0.533711  1
  H  H195  1  0.561272  0.697202  0.502518  1
  H  H196  1  0.516282  0.849178  0.518749  1
  H  H197  1  0.470634  1.001584  0.534446  1
  H  H198  1  0.800816  0.669285  0.532300  1
  H  H199  1  0.051844  0.452559  0.495351  1
  H  H200  1  0.722193  0.283849  0.497931  1
  H  H201  1  0.678146  0.435181  0.515043  1
  H  H202  1  0.062536  0.945430  0.503356  1
  H  H203  1  0.016657  0.098035  0.518977  1
  H  H204  1  0.970370  0.250542  0.534168  1
  H  H205  1  0.396980  0.112778  0.504035  1
  H  H206  1  0.350583  0.265534  0.519193  1
  H  H207  1  0.303392  0.418228  0.533997  1
  H  H208  1  0.725850  0.781395  0.500884  1
  H  H209  1  0.677201  0.935832  0.514251  1
  H  H210  1  0.628591  0.090165  0.527731  1
  H  H211  1  0.004938  0.605265  0.510252  1
  H  H212  1  0.958484  0.757953  0.525389  1
  H  H213  1  0.385120  0.620266  0.495244  1
  H  H214  1  0.339082  0.772746  0.510613  1
  H  H215  1  0.293098  0.925090  0.526250  1
  H  H216  1  0.633724  0.586612  0.532013  1
  H  H217  1  0.079520  0.494161  0.541224  1
  H  H218  1  0.750639  0.325056  0.544366  1
  H  H219  1  0.706663  0.476621  0.561522  1
  H  H220  1  0.090514  0.986982  0.549366  1
  H  H221  1  0.044810  0.139784  0.564984  1
  H  H222  1  -0.002199  0.292042  0.579897  1
  H  H223  1  0.424829  0.154280  0.549913  1
  H  H224  1  0.378423  0.307407  0.565073  1
  H  H225  1  0.330883  0.459604  0.579777  1
  H  H226  1  0.752549  0.823838  0.545912  1
  H  H227  1  0.704150  0.978471  0.559247  1
  H  H228  1  0.655302  0.132116  0.573003  1
  H  H229  1  0.032788  0.647013  0.556146  1
  H  H230  1  -0.013812  0.799385  0.571270  1
  H  H231  1  0.412903  0.661941  0.541243  1
  H  H232  1  0.367268  0.814253  0.556689  1
  H  H233  1  0.320901  0.966347  0.572273  1
  H  H234  1  0.662081  0.627623  0.578336  1
  H  H235  1  0.923541  0.403809  0.549192  1
  H  H236  1  0.580862  0.244200  0.541999  1
  H  H237  1  0.533756  0.397678  0.556519  1
  H  H238  1  0.913184  0.910684  0.541163  1
  H  H239  1  0.868100  0.063123  0.557201  1
  H  H240  1  0.822699  0.214352  0.573505  1
  H  H241  1  0.247344  0.077698  0.541969  1
  H  H242  1  0.201434  0.230177  0.557098  1
  H  H243  1  0.153792  0.382465  0.571855  1
  H  H244  1  0.589618  0.738523  0.548792  1
  H  H245  1  0.544509  0.890910  0.564872  1
  H  H246  1  0.498603  0.042809  0.580345  1
  H  H247  1  0.876237  0.557687  0.563696  1
  H  H248  1  0.827359  0.711528  0.577388  1
  H  H249  1  0.256551  0.571145  0.549151  1
  H  H250  1  0.210330  0.723725  0.564486  1
  H  H251  1  0.164213  0.875662  0.579658  1
  H  H252  1  0.486355  0.550498  0.571608  1
  H  H253  1  0.951073  0.445995  0.594654  1
  H  H254  1  0.608638  0.286458  0.587655  1
  H  H255  1  0.561358  0.439309  0.602320  1
  H  H256  1  0.941582  0.952735  0.587279  1
  H  H257  1  0.896484  0.104360  0.603466  1
  H  H258  1  0.850434  0.255629  0.619533  1
  H  H259  1  0.275663  0.119350  0.588087  1
  H  H260  1  0.229410  0.271645  0.603057  1
  H  H261  1  0.181616  0.423884  0.617459  1
  H  H262  1  0.618094  0.780342  0.594983  1
  H  H263  1  0.573122  0.932049  0.611059  1
  H  H264  1  0.526010  0.084835  0.625969  1
  H  H265  1  0.902930  0.600003  0.608969  1
  H  H266  1  0.854101  0.755009  0.622102  1
  H  H267  1  0.284163  0.613052  0.595108  1
  H  H268  1  0.238928  0.765324  0.610586  1
  H  H269  1  0.192648  0.917228  0.625441  1
  H  H270  1  0.514445  0.592140  0.617351  1
  H  H271  1  0.779232  0.366655  0.590837  1
  H  H272  1  0.452574  0.196280  0.595707  1
  H  H273  1  0.406790  0.348831  0.611036  1
  H  H274  1  0.779564  0.866908  0.590856  1
  H  H275  1  0.731005  0.020602  0.604458  1
  H  H276  1  0.682492  0.174285  0.618242  1
  H  H277  1  0.118624  0.028730  0.595359  1
  H  H278  1  0.072837  0.181413  0.611003  1
  H  H279  1  0.025345  0.333967  0.625307  1
  H  H280  1  0.441269  0.703722  0.587356  1
  H  H281  1  0.395747  0.855524  0.602816  1
  H  H282  1  0.349508  1.007465  0.618135  1
  H  H283  1  0.735605  0.517575  0.608065  1
  H  H284  1  0.690120  0.669435  0.624441  1
  H  H285  1  0.107391  0.536070  0.587181  1
  H  H286  1  0.060555  0.688712  0.602087  1
  H  H287  1  0.014005  0.841470  0.616948  1
  H  H288  1  0.358078  0.501723  0.625387  1
  H  H289  1  0.808888  0.407494  0.637443  1
  H  H290  1  0.481350  0.237008  0.641588  1
  H  H291  1  0.433445  0.392578  0.656783  1
  H  H292  1  0.805718  0.909337  0.636178  1
  H  H293  1  0.758747  0.063868  0.649544  1
  H  H294  1  0.708677  0.214635  0.663687  1
  H  H295  1  0.147640  0.069899  0.641268  1
  H  H296  1  0.102243  0.224525  0.656706  1
  H  H297  1  0.052267  0.374541  0.670425  1
  H  H298  1  0.469176  0.745142  0.633765  1
  H  H299  1  0.424971  0.896875  0.648866  1
  H  H300  1  0.375083  0.047681  0.663806  1
  H  H301  1  0.764360  0.560046  0.654371  1
  H  H302  1  0.717967  0.707574  0.670532  1
  H  H303  1  0.135171  0.578299  0.633279  1
  H  H304  1  0.089604  0.731611  0.647754  1
  H  H305  1  0.041286  0.881644  0.662407  1
  H  H306  1  0.384663  0.540601  0.671206  1
  H  H307  1  0.636036  0.328338  0.633692  1
  H  H308  1  0.304026  0.160980  0.634328  1
  H  H309  1  0.259477  0.313614  0.648814  1
  H  H310  1  0.646696  0.820813  0.641250  1
  H  H311  1  0.599674  0.975506  0.656942  1
  H  H312  1  0.552439  0.123373  0.671649  1
  H  H313  1  0.970139  0.994259  0.633640  1
  H  H314  1  0.926288  0.146219  0.649521  1
  H  H315  1  0.879313  0.294528  0.665268  1
  H  H316  1  0.312785  0.654147  0.641160  1
  H  H317  1  0.267343  0.807648  0.656805  1
  H  H318  1  0.219202  0.956302  0.671245  1
  H  H319  1  0.590207  0.481432  0.647911  1
  H  H320  1  0.540782  0.631928  0.663109  1
  H  H321  1  0.978408  0.488288  0.639911  1
  H  H322  1  0.930472  0.645006  0.653573  1
  H  H323  1  0.879052  0.796567  0.667139  1
  H  H324  1  0.207129  0.465203  0.662736  1
  H  H325  1  0.667327  0.371057  0.679600  1
  H  H326  1  0.334103  0.203417  0.680772  1
  H  H327  1  0.276688  0.355106  0.695131  1
  H  H328  1  0.672050  0.865683  0.686719  1
  H  H329  1  0.625105  1.010941  0.704438  1
  H  H330  1  0.554539  0.168494  0.717137  1
  H  H331  1  0.000399  0.037172  0.680079  1
  H  H332  1  0.948563  0.184382  0.696249  1
  H  H333  1  0.891184  0.333522  0.711450  1
  H  H334  1  0.338699  0.697438  0.687173  1
  H  H335  1  0.291226  0.844286  0.704185  1
  H  H336  1  0.224757  0.999388  0.717160  1
  H  H337  1  0.612155  0.519346  0.694356  1
  H  H338  1  0.558203  0.666934  0.709628  1
  H  H339  1  0.005119  0.535434  0.684478  1
  H  H340  1  0.946883  0.685418  0.699926  1
  H  H341  1  0.885993  0.838253  0.713255  1
  H  H342  1  0.224040  0.503284  0.708800  1
  H  H343  1  0.505094  0.282652  0.686793  1
  H  H344  1  0.174191  0.114385  0.686931  1
  H  H345  1  0.124509  0.263192  0.703558  1
  H  H346  1  0.499743  0.786402  0.680388  1
  H  H347  1  0.444751  0.936058  0.695564  1
  H  H348  1  0.392413  0.083781  0.710160  1
  H  H349  1  0.834226  0.953840  0.681340  1
  H  H350  1  0.777562  0.103241  0.695967  1
  H  H351  1  0.721924  0.252975  0.709878  1
  H  H352  1  0.164104  0.622351  0.679554  1
  H  H353  1  0.109230  0.771554  0.694251  1
  H  H354  1  0.055344  0.919484  0.708621  1
  H  H355  1  0.459704  0.427876  0.704161  1
  H  H356  1  0.394369  0.581749  0.717284  1
  H  H357  1  0.839887  0.450414  0.683643  1
  H  H358  1  0.788249  0.595225  0.702029  1
  H  H359  1  0.719131  0.751519  0.716333  1
  H  H360  1  0.054056  0.421182  0.715810  1
