# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.73472142
_cell_length_b   11.73237695
_cell_length_c   47.50158525
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H324
_cell_volume   6222.56237437
_cell_formula_units_Z   162
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  0.645108  0.145416  0.292851  1
  H  H2  1  0.978390  0.812034  0.292944  1
  H  H3  1  0.036668  0.184173  0.275838  1
  H  H4  1  0.264378  0.098045  0.304715  1
  H  H5  1  0.604816  0.770159  0.310601  1
  H  H6  1  0.936507  0.438464  0.310599  1
  H  H7  1  0.311773  0.478764  0.292849  1
  H  H8  1  0.350486  0.870391  0.275838  1
  H  H9  1  0.692183  0.525869  0.275532  1
  H  H10  1  0.812297  0.979014  0.292809  1
  H  H11  1  0.145375  0.645952  0.292807  1
  H  H12  1  0.062511  0.896162  0.327361  1
  H  H13  1  0.439122  0.936681  0.310968  1
  H  H14  1  0.770632  0.604276  0.310536  1
  H  H15  1  0.103021  0.272778  0.310967  1
  H  H16  1  0.478024  0.311675  0.292866  1
  H  H17  1  0.522540  0.696098  0.275488  1
  H  H18  1  0.862391  0.356218  0.275488  1
  H  H19  1  0.623722  0.956802  0.300928  1
  H  H20  1  0.956586  0.623507  0.300819  1
  H  H21  1  0.002830  0.000928  0.284389  1
  H  H22  1  0.248938  0.917007  0.319063  1
  H  H23  1  0.583129  0.583671  0.318739  1
  H  H24  1  0.916928  0.250096  0.318769  1
  H  H25  1  0.288910  0.289427  0.300944  1
  H  H26  1  0.334074  0.669212  0.284081  1
  H  H27  1  0.668044  0.334457  0.284119  1
  H  H28  1  0.835542  0.167715  0.284085  1
  H  H29  1  0.167284  0.836496  0.284387  1
  H  H30  1  0.083346  0.082600  0.319062  1
  H  H31  1  0.455764  0.122569  0.300943  1
  H  H32  1  0.789846  0.790238  0.300818  1
  H  H33  1  0.123149  0.457381  0.300927  1
  H  H34  1  0.500809  0.501703  0.284117  1
  H  H35  1  0.416437  0.750590  0.318768  1
  H  H36  1  0.750010  0.416787  0.318740  1
  H  H37  1  0.524664  0.023991  0.343949  1
  H  H38  1  0.857032  0.690686  0.343742  1
  H  H39  1  0.896319  0.063530  0.327086  1
  H  H40  1  0.150369  0.984024  0.360660  1
  H  H41  1  0.483784  0.650754  0.360342  1
  H  H42  1  0.817099  0.317438  0.360343  1
  H  H43  1  0.190333  0.358315  0.343948  1
  H  H44  1  0.229879  0.729971  0.327085  1
  H  H45  1  0.563015  0.396671  0.326918  1
  H  H46  1  0.690466  0.857221  0.343800  1
  H  H47  1  0.023565  0.524114  0.343799  1
  H  H48  1  0.944837  0.778484  0.376983  1
  H  H49  1  0.317290  0.817784  0.360430  1
  H  H50  1  0.650363  0.484018  0.360327  1
  H  H51  1  0.984131  0.150942  0.360430  1
  H  H52  1  0.354994  0.188657  0.342623  1
  H  H53  1  0.396448  0.563496  0.326950  1
  H  H54  1  0.729840  0.230102  0.326951  1
  H  H55  1  0.504019  0.837023  0.352379  1
  H  H56  1  0.836726  0.504015  0.352259  1
  H  H57  1  0.876145  0.876680  0.335367  1
  H  H58  1  0.131029  0.797611  0.368735  1
  H  H59  1  0.464061  0.464272  0.368573  1
  H  H60  1  0.797576  0.131324  0.368657  1
  H  H61  1  0.171564  0.170024  0.351430  1
  H  H62  1  0.209751  0.543645  0.335361  1
  H  H63  1  0.542653  0.209699  0.335306  1
  H  H64  1  0.709999  0.043404  0.335363  1
  H  H65  1  0.043032  0.709794  0.335367  1
  H  H66  1  0.963962  0.964677  0.368735  1
  H  H67  1  0.336364  0.005223  0.351430  1
  H  H68  1  0.670366  0.670379  0.352259  1
  H  H69  1  0.003366  0.337670  0.352379  1
  H  H70  1  0.376044  0.376309  0.335305  1
  H  H71  1  0.297672  0.631224  0.368656  1
  H  H72  1  0.630618  0.297715  0.368573  1
  H  H73  1  0.405258  0.906548  0.393470  1
  H  H74  1  0.738818  0.572464  0.393704  1
  H  H75  1  0.778184  0.945087  0.377015  1
  H  H76  1  0.033029  0.866670  0.410291  1
  H  H77  1  0.366499  0.533419  0.410272  1
  H  H78  1  0.699778  0.200142  0.410273  1
  H  H79  1  0.072902  0.238905  0.393471  1
  H  H80  1  0.111439  0.611828  0.377014  1
  H  H81  1  0.444146  0.277799  0.376664  1
  H  H82  1  0.572206  0.739182  0.393719  1
  H  H83  1  0.905536  0.405852  0.393720  1
  H  H84  1  0.827123  0.660761  0.426944  1
  H  H85  1  0.199818  0.699908  0.410296  1
  H  H86  1  0.532833  0.366477  0.410146  1
  H  H87  1  0.866267  0.033459  0.410296  1
  H  H88  1  0.238957  0.072604  0.393408  1
  H  H89  1  0.278147  0.445582  0.377078  1
  H  H90  1  0.611937  0.111797  0.377078  1
  H  H91  1  0.386028  0.719743  0.401923  1
  H  H92  1  0.719200  0.386212  0.401888  1
  H  H93  1  0.758640  0.758770  0.385330  1
  H  H94  1  0.013432  0.680409  0.418611  1
  H  H95  1  0.346767  0.346931  0.418479  1
  H  H96  1  0.680164  0.013793  0.418642  1
  H  H97  1  0.052424  0.052948  0.402082  1
  H  H98  1  0.091749  0.425942  0.385434  1
  H  H99  1  0.425019  0.092373  0.384977  1
  H  H100  1  0.592297  0.925398  0.385434  1
  H  H101  1  0.925122  0.592286  0.385330  1
  H  H102  1  0.846770  0.847071  0.418612  1
  H  H103  1  0.219305  0.886068  0.402082  1
  H  H104  1  0.552567  0.552845  0.401888  1
  H  H105  1  0.886100  0.219672  0.401924  1
  H  H106  1  0.258723  0.258669  0.384978  1
  H  H107  1  0.180153  0.513802  0.418641  1
  H  H108  1  0.513290  0.180408  0.418479  1
  H  H109  1  0.287993  0.788159  0.443601  1
  H  H110  1  0.621160  0.454795  0.443518  1
  H  H111  1  0.660518  0.827430  0.426961  1
  H  H112  1  0.915354  0.748984  0.460230  1
  H  H113  1  0.248754  0.415568  0.460183  1
  H  H114  1  0.581936  0.082384  0.460183  1
  H  H115  1  0.954525  0.121627  0.443601  1
  H  H116  1  0.993792  0.494155  0.426961  1
  H  H117  1  0.327124  0.160763  0.426752  1
  H  H118  1  0.454613  0.621573  0.443554  1
  H  H119  1  0.787939  0.288248  0.443555  1
  H  H120  1  0.709426  0.543053  0.476857  1
  H  H121  1  0.082054  0.582313  0.460234  1
  H  H122  1  0.415319  0.248950  0.460150  1
  H  H123  1  0.748683  0.915684  0.460234  1
  H  H124  1  0.121251  0.954884  0.443617  1
  H  H125  1  0.160670  0.327313  0.426826  1
  H  H126  1  0.493674  0.994309  0.426825  1
  H  H127  1  0.268375  0.601899  0.451909  1
  H  H128  1  0.601552  0.268593  0.451849  1
  H  H129  1  0.640791  0.641129  0.435264  1
  H  H130  1  0.895740  0.562686  0.468552  1
  H  H131  1  0.229135  0.229335  0.468481  1
  H  H132  1  0.562344  0.896135  0.468513  1
  H  H133  1  0.934957  0.935301  0.451905  1
  H  H134  1  0.974425  0.307698  0.435199  1
  H  H135  1  0.307480  0.974615  0.435178  1
  H  H136  1  0.474062  0.808061  0.435199  1
  H  H137  1  0.807492  0.474428  0.435264  1
  H  H138  1  0.729057  0.729368  0.468552  1
  H  H139  1  0.101669  0.768589  0.451905  1
  H  H140  1  0.434960  0.435186  0.451849  1
  H  H141  1  0.768267  0.102007  0.451910  1
  H  H142  1  0.140979  0.141116  0.435179  1
  H  H143  1  0.062507  0.395974  0.468513  1
  H  H144  1  0.395705  0.062764  0.468481  1
  H  H145  1  0.170284  0.670500  0.493521  1
  H  H146  1  0.503550  0.337173  0.493500  1
  H  H147  1  0.542756  0.709818  0.476848  1
  H  H148  1  0.797669  0.631288  0.510155  1
  H  H149  1  0.131061  0.297963  0.510143  1
  H  H150  1  0.464344  0.964680  0.510143  1
  H  H151  1  0.836877  0.003906  0.493521  1
  H  H152  1  0.876191  0.376383  0.476848  1
  H  H153  1  0.209492  0.043118  0.476840  1
  H  H154  1  0.336950  0.503801  0.493509  1
  H  H155  1  0.670178  0.170573  0.493509  1
  H  H156  1  0.591760  0.425375  0.526830  1
  H  H157  1  0.964381  0.464611  0.510150  1
  H  H158  1  0.297701  0.131321  0.510136  1
  H  H159  1  0.630991  0.798001  0.510149  1
  H  H160  1  0.003576  0.837199  0.493518  1
  H  H161  1  0.042863  0.209746  0.476843  1
  H  H162  1  0.376119  0.876489  0.476843  1
  H  H163  1  0.150684  0.484204  0.501830  1
  H  H164  1  0.483936  0.150943  0.501819  1
  H  H165  1  0.523181  0.523434  0.485173  1
  H  H166  1  0.778046  0.445016  0.518470  1
  H  H167  1  0.111416  0.111714  0.518465  1
  H  H168  1  0.444764  0.778353  0.518472  1
  H  H169  1  0.817277  0.817598  0.501839  1
  H  H170  1  0.856483  0.190196  0.485198  1
  H  H171  1  0.189882  0.856797  0.485201  1
  H  H172  1  0.356571  0.690108  0.485198  1
  H  H173  1  0.689808  0.356807  0.485173  1
  H  H174  1  0.611398  0.611664  0.518470  1
  H  H175  1  0.983977  0.650898  0.501839  1
  H  H176  1  0.317322  0.317557  0.501819  1
  H  H177  1  0.650582  0.984306  0.501830  1
  H  H178  1  0.023173  0.023507  0.485201  1
  H  H179  1  0.944735  0.278382  0.518472  1
  H  H180  1  0.278096  0.945033  0.518465  1
  H  H181  1  0.052608  0.552814  0.543450  1
  H  H182  1  0.385917  0.219529  0.543463  1
  H  H183  1  0.425182  0.592000  0.526819  1
  H  H184  1  0.679950  0.513558  0.560104  1
  H  H185  1  0.013305  0.180354  0.560072  1
  H  H186  1  0.346746  0.846913  0.560072  1
  H  H187  1  0.719201  0.886220  0.543450  1
  H  H188  1  0.758384  0.258797  0.526819  1
  H  H189  1  0.091793  0.925409  0.526804  1
  H  H190  1  0.219282  0.386178  0.543468  1
  H  H191  1  0.552566  0.052894  0.543468  1
  H  H192  1  0.474107  0.307712  0.576807  1
  H  H193  1  0.846604  0.347044  0.560090  1
  H  H194  1  0.180032  0.013640  0.560065  1
  H  H195  1  0.513437  0.680212  0.560090  1
  H  H196  1  0.885890  0.719502  0.543440  1
  H  H197  1  0.925070  0.092131  0.526810  1
  H  H198  1  0.258515  0.758685  0.526810  1
  H  H199  1  0.032962  0.366598  0.551777  1
  H  H200  1  0.366321  0.033254  0.551770  1
  H  H201  1  0.405528  0.405774  0.535158  1
  H  H202  1  0.660338  0.327303  0.568507  1
  H  H203  1  0.993639  0.994060  0.568406  1
  H  H204  1  0.327207  0.660517  0.568443  1
  H  H205  1  0.699616  0.699873  0.551766  1
  H  H206  1  0.738783  0.072528  0.535142  1
  H  H207  1  0.072209  0.739090  0.535128  1
  H  H208  1  0.238915  0.572397  0.535142  1
  H  H209  1  0.572161  0.239141  0.535158  1
  H  H210  1  0.493698  0.493943  0.568507  1
  H  H211  1  0.866262  0.533226  0.551766  1
  H  H212  1  0.199644  0.199931  0.551770  1
  H  H213  1  0.532988  0.866572  0.551778  1
  H  H214  1  0.905476  0.905823  0.535128  1
  H  H215  1  0.826911  0.160812  0.568443  1
  H  H216  1  0.160454  0.827246  0.568406  1
  H  H217  1  0.934863  0.435306  0.593405  1
  H  H218  1  0.268277  0.101878  0.593392  1
  H  H219  1  0.307481  0.474361  0.576824  1
  H  H220  1  0.562201  0.395797  0.610185  1
  H  H221  1  0.895369  0.062984  0.610012  1
  H  H222  1  0.229388  0.728966  0.610012  1
  H  H223  1  0.601706  0.768465  0.593405  1
  H  H224  1  0.640757  0.141084  0.576825  1
  H  H225  1  0.974083  0.807688  0.576715  1
  H  H226  1  0.101560  0.268559  0.593391  1
  H  H227  1  0.434958  0.935161  0.593391  1
  H  H228  1  0.356581  0.190177  0.626761  1
  H  H229  1  0.728904  0.229117  0.610221  1
  H  H230  1  0.062335  0.895932  0.609941  1
  H  H231  1  0.395522  0.562500  0.610221  1
  H  H232  1  0.768090  0.601691  0.593379  1
  H  H233  1  0.807326  0.974500  0.576753  1
  H  H234  1  0.140896  0.640931  0.576753  1
  H  H235  1  0.915166  0.249151  0.601648  1
  H  H236  1  0.248702  0.915523  0.601631  1
  H  H237  1  0.287870  0.288091  0.585105  1
  H  H238  1  0.542553  0.209645  0.618448  1
  H  H239  1  0.875933  0.876554  0.618259  1
  H  H240  1  0.209449  0.543002  0.618499  1
  H  H241  1  0.581895  0.582119  0.601742  1
  H  H242  1  0.621180  0.954815  0.585105  1
  H  H243  1  0.954494  0.621385  0.585043  1
  H  H244  1  0.121213  0.454782  0.585104  1
  H  H245  1  0.454488  0.121473  0.585105  1
  H  H246  1  0.376048  0.376151  0.618447  1
  H  H247  1  0.748521  0.415492  0.601742  1
  H  H248  1  0.081925  0.082301  0.601631  1
  H  H249  1  0.415554  0.748765  0.601648  1
  H  H250  1  0.787781  0.788098  0.585043  1
  H  H251  1  0.709407  0.043044  0.618500  1
  H  H252  1  0.042957  0.709531  0.618259  1
  H  H253  1  0.817167  0.317346  0.643252  1
  H  H254  1  0.150712  0.984301  0.643071  1
  H  H255  1  0.189986  0.356850  0.626701  1
  H  H256  1  0.444512  0.278105  0.660072  1
  H  H257  1  0.779196  0.945019  0.660291  1
  H  H258  1  0.111427  0.612785  0.660290  1
  H  H259  1  0.483758  0.650755  0.643252  1
  H  H260  1  0.523255  0.023582  0.626702  1
  H  H261  1  0.856295  0.689891  0.626532  1
  H  H262  1  0.983887  0.151364  0.643078  1
  H  H263  1  0.317777  0.817475  0.643078  1
  H  H264  1  0.238080  0.071667  0.676449  1
  H  H265  1  0.611361  0.111413  0.660029  1
  H  H266  1  0.943465  0.777060  0.659421  1
  H  H267  1  0.277821  0.444949  0.660028  1
  H  H268  1  0.650418  0.484007  0.643257  1
  H  H269  1  0.690287  0.857058  0.626724  1
  H  H270  1  0.023462  0.523880  0.626723  1
  H  H271  1  0.797685  0.130261  0.651964  1
  H  H272  1  0.131417  0.797328  0.651304  1
  H  H273  1  0.170359  0.170673  0.634935  1
  H  H274  1  0.424849  0.091558  0.668241  1
  H  H275  1  0.757867  0.758176  0.668353  1
  H  H276  1  0.091261  0.425395  0.668229  1
  H  H277  1  0.463550  0.464037  0.651763  1
  H  H278  1  0.504041  0.837222  0.634912  1
  H  H279  1  0.836979  0.503899  0.634983  1
  H  H280  1  0.003629  0.337630  0.634911  1
  H  H281  1  0.337082  0.003951  0.634935  1
  H  H282  1  0.257964  0.258443  0.668241  1
  H  H283  1  0.630450  0.297137  0.651763  1
  H  H284  1  0.963740  0.965003  0.651304  1
  H  H285  1  0.296674  0.631268  0.651963  1
  H  H286  1  0.670307  0.670571  0.634984  1
  H  H287  1  0.591804  0.924856  0.668230  1
  H  H288  1  0.924582  0.591461  0.668352  1
  H  H289  1  0.699361  0.197813  0.694589  1
  H  H290  1  0.028667  0.862253  0.692053  1
  H  H291  1  0.071306  0.238749  0.676410  1
  H  H292  1  0.322092  0.155687  0.710759  1
  H  H293  1  0.653765  0.820744  0.711082  1
  H  H294  1  0.987147  0.487366  0.711081  1
  H  H295  1  0.364230  0.532940  0.694588  1
  H  H296  1  0.405162  0.904894  0.676410  1
  H  H297  1  0.737834  0.571421  0.676539  1
  H  H298  1  0.868298  0.030996  0.695640  1
  H  H299  1  0.197412  0.701877  0.695638  1
  H  H300  1  0.107637  0.941204  0.726996  1
  H  H301  1  0.488828  0.988066  0.710811  1
  H  H302  1  0.820149  0.653749  0.711164  1
  H  H303  1  0.154472  0.322430  0.710810  1
  H  H304  1  0.531788  0.365370  0.694538  1
  H  H305  1  0.571157  0.738202  0.676550  1
  H  H306  1  0.904614  0.404745  0.676550  1
  H  H307  1  0.677695  0.009823  0.702405  1
  H  H308  1  0.009162  0.676776  0.702704  1
  H  H309  1  0.051090  0.051574  0.684521  1
  H  H310  1  0.299399  0.965613  0.719218  1
  H  H311  1  0.629015  0.629646  0.719846  1
  H  H312  1  0.963064  0.295322  0.719893  1
  H  H313  1  0.343389  0.344267  0.702360  1
  H  H314  1  0.383545  0.718217  0.684959  1
  H  H315  1  0.717469  0.384075  0.684914  1
  H  H316  1  0.884634  0.217131  0.684960  1
  H  H317  1  0.217990  0.884674  0.684521  1
  H  H318  1  0.132041  0.132988  0.719216  1
  H  H319  1  0.510674  0.176982  0.702360  1
  H  H320  1  0.843179  0.842758  0.702704  1
  H  H321  1  0.176229  0.511291  0.702404  1
  H  H322  1  0.550490  0.551054  0.684914  1
  H  H323  1  0.461736  0.796635  0.719893  1
  H  H324  1  0.796071  0.462591  0.719846  1
