# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98006684
_cell_length_b   12.38491713
_cell_length_c   45.85241452
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.70187780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H270
_cell_volume   5411.12762765
_cell_formula_units_Z   135
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  0.773939  0.480186  0.296714  1
  H  H2  1  0.107272  0.146852  0.296714  1
  H  H3  1  0.155602  0.490647  0.287233  1
  H  H4  1  0.546346  0.509125  0.278028  1
  H  H5  1  0.879680  0.175792  0.278028  1
  H  H6  1  0.213013  0.842458  0.278028  1
  H  H7  1  0.440605  0.813519  0.296714  1
  H  H8  1  0.488935  0.157314  0.287233  1
  H  H9  1  0.822268  0.823981  0.287233  1
  H  H10  1  0.720542  0.670101  0.281543  1
  H  H11  1  0.053876  0.336768  0.281543  1
  H  H12  1  0.129337  0.679257  0.273724  1
  H  H13  1  0.350680  0.655575  0.293238  1
  H  H14  1  0.684013  0.322241  0.293238  1
  H  H15  1  0.017347  0.988908  0.293238  1
  H  H16  1  0.387209  0.003434  0.281543  1
  H  H17  1  0.462670  0.345924  0.273724  1
  H  H18  1  0.796003  0.012590  0.273724  1
  H  H19  1  0.585965  0.454034  0.328206  1
  H  H20  1  0.919298  0.120700  0.328206  1
  H  H21  1  0.981157  0.463563  0.319269  1
  H  H22  1  0.368216  0.475516  0.309081  1
  H  H23  1  0.701550  0.142183  0.309081  1
  H  H24  1  0.034883  0.808849  0.309081  1
  H  H25  1  0.252632  0.787367  0.328206  1
  H  H26  1  0.314490  0.130229  0.319269  1
  H  H27  1  0.647823  0.796896  0.319269  1
  H  H28  1  0.566114  0.633949  0.314647  1
  H  H29  1  0.899447  0.300616  0.314647  1
  H  H30  1  0.951574  0.641730  0.302275  1
  H  H31  1  0.170993  0.626258  0.323571  1
  H  H32  1  0.504326  0.292925  0.323571  1
  H  H33  1  0.837659  0.959591  0.323571  1
  H  H34  1  0.232781  0.967283  0.314647  1
  H  H35  1  0.284908  0.308396  0.302275  1
  H  H36  1  0.618241  0.975063  0.302275  1
  H  H37  1  0.407883  0.426714  0.358434  1
  H  H38  1  0.741216  0.093381  0.358434  1
  H  H39  1  0.798993  0.436510  0.348148  1
  H  H40  1  0.194913  0.443715  0.338420  1
  H  H41  1  0.528246  0.110382  0.338420  1
  H  H42  1  0.861580  0.777048  0.338420  1
  H  H43  1  0.074550  0.760048  0.358434  1
  H  H44  1  0.132327  0.103177  0.348148  1
  H  H45  1  0.465660  0.769844  0.348148  1
  H  H46  1  0.388705  0.607240  0.343699  1
  H  H47  1  0.722038  0.273907  0.343699  1
  H  H48  1  0.781782  0.615721  0.333439  1
  H  H49  1  0.997359  0.597645  0.353480  1
  H  H50  1  0.330692  0.264312  0.353480  1
  H  H51  1  0.664025  0.930978  0.353480  1
  H  H52  1  0.055372  0.940574  0.343699  1
  H  H53  1  0.115116  0.282388  0.333439  1
  H  H54  1  0.448449  0.949054  0.333439  1
  H  H55  1  0.229006  0.398471  0.388089  1
  H  H56  1  0.562339  0.065138  0.388089  1
  H  H57  1  0.621430  0.407998  0.377999  1
  H  H58  1  0.014639  0.416587  0.368327  1
  H  H59  1  0.347972  0.083254  0.368327  1
  H  H60  1  0.681306  0.749920  0.368327  1
  H  H61  1  0.895672  0.731805  0.388089  1
  H  H62  1  0.954763  0.074665  0.377999  1
  H  H63  1  0.288096  0.741331  0.377999  1
  H  H64  1  0.212165  0.578697  0.373418  1
  H  H65  1  0.545498  0.245363  0.373418  1
  H  H66  1  0.604581  0.588215  0.363731  1
  H  H67  1  0.820091  0.569424  0.383368  1
  H  H68  1  0.153424  0.236090  0.383368  1
  H  H69  1  0.486758  0.902757  0.383368  1
  H  H70  1  0.878832  0.912030  0.373418  1
  H  H71  1  0.937915  0.254882  0.363731  1
  H  H72  1  0.271248  0.921549  0.363731  1
  H  H73  1  0.050560  0.370405  0.417854  1
  H  H74  1  0.383893  0.037072  0.417854  1
  H  H75  1  0.443466  0.379772  0.407926  1
  H  H76  1  0.835670  0.389399  0.397889  1
  H  H77  1  0.169004  0.056065  0.397889  1
  H  H78  1  0.502337  0.722732  0.397889  1
  H  H79  1  0.717226  0.703739  0.417854  1
  H  H80  1  0.776799  0.046439  0.407926  1
  H  H81  1  0.110132  0.713105  0.407926  1
  H  H82  1  0.034528  0.550796  0.403360  1
  H  H83  1  0.367862  0.217463  0.403360  1
  H  H84  1  0.426842  0.560350  0.393494  1
  H  H85  1  0.641774  0.541562  0.413359  1
  H  H86  1  0.975108  0.208229  0.413359  1
  H  H87  1  0.308441  0.874896  0.413359  1
  H  H88  1  0.701195  0.884130  0.403360  1
  H  H89  1  0.760175  0.227017  0.393494  1
  H  H90  1  0.093509  0.893683  0.393494  1
  H  H91  1  0.872394  0.342576  0.447663  1
  H  H92  1  0.205728  0.009243  0.447663  1
  H  H93  1  0.265198  0.351825  0.437742  1
  H  H94  1  0.657796  0.361335  0.427774  1
  H  H95  1  0.991130  0.028002  0.427774  1
  H  H96  1  0.324463  0.694668  0.427774  1
  H  H97  1  0.539061  0.675909  0.447663  1
  H  H98  1  0.598531  0.018492  0.437742  1
  H  H99  1  0.931865  0.685159  0.437742  1
  H  H100  1  0.856468  0.522784  0.433225  1
  H  H101  1  0.189801  0.189451  0.433225  1
  H  H102  1  0.249092  0.532142  0.423304  1
  H  H103  1  0.463681  0.513491  0.443232  1
  H  H104  1  0.797014  0.180158  0.443232  1
  H  H105  1  0.130347  0.846825  0.443232  1
  H  H106  1  0.523135  0.856117  0.433225  1
  H  H107  1  0.582426  0.198809  0.423304  1
  H  H108  1  0.915759  0.865476  0.423304  1
  H  H109  1  0.694372  0.314538  0.477533  1
  H  H110  1  0.027705  0.981204  0.477533  1
  H  H111  1  0.087086  0.323832  0.467582  1
  H  H112  1  0.479785  0.333185  0.457642  1
  H  H113  1  0.813118  0.999851  0.457642  1
  H  H114  1  0.146452  0.666518  0.457642  1
  H  H115  1  0.361038  0.647871  0.477533  1
  H  H116  1  0.420420  0.990499  0.467582  1
  H  H117  1  0.753753  0.657165  0.467582  1
  H  H118  1  0.678336  0.494807  0.463124  1
  H  H119  1  0.011669  0.161473  0.463124  1
  H  H120  1  0.071039  0.504095  0.453159  1
  H  H121  1  0.285629  0.485433  0.473082  1
  H  H122  1  0.618963  0.152100  0.473082  1
  H  H123  1  0.952296  0.818767  0.473082  1
  H  H124  1  0.345003  0.828140  0.463124  1
  H  H125  1  0.404372  0.170762  0.453159  1
  H  H126  1  0.737705  0.837428  0.453159  1
  H  H127  1  0.516301  0.286498  0.507406  1
  H  H128  1  0.849635  0.953165  0.507406  1
  H  H129  1  0.908995  0.295843  0.497433  1
  H  H130  1  0.301706  0.305168  0.487491  1
  H  H131  1  0.635040  0.971834  0.487491  1
  H  H132  1  0.968373  0.638501  0.487491  1
  H  H133  1  0.182968  0.619831  0.507406  1
  H  H134  1  0.242328  0.962510  0.497433  1
  H  H135  1  0.575662  0.629176  0.497433  1
  H  H136  1  0.500263  0.466746  0.492992  1
  H  H137  1  0.833597  0.133412  0.492992  1
  H  H138  1  0.892957  0.476091  0.483019  1
  H  H139  1  0.107552  0.457421  0.502934  1
  H  H140  1  0.440885  0.124088  0.502934  1
  H  H141  1  0.774219  0.790754  0.502934  1
  H  H142  1  0.166930  0.800079  0.492992  1
  H  H143  1  0.226290  0.142757  0.483019  1
  H  H144  1  0.559623  0.809424  0.483019  1
  H  H145  1  0.338220  0.258493  0.537266  1
  H  H146  1  0.671553  0.925160  0.537266  1
  H  H147  1  0.730922  0.267782  0.527301  1
  H  H148  1  0.123629  0.277155  0.517343  1
  H  H149  1  0.456962  0.943822  0.517343  1
  H  H150  1  0.790296  0.610489  0.517343  1
  H  H151  1  0.004886  0.591827  0.537266  1
  H  H152  1  0.064256  0.934449  0.527301  1
  H  H153  1  0.397589  0.601115  0.527301  1
  H  H154  1  0.322172  0.438756  0.522843  1
  H  H155  1  0.655505  0.105423  0.522843  1
  H  H156  1  0.714887  0.448051  0.512892  1
  H  H157  1  0.929473  0.429404  0.532783  1
  H  H158  1  0.262807  0.096071  0.532783  1
  H  H159  1  0.596140  0.762737  0.532783  1
  H  H160  1  0.988839  0.772090  0.522843  1
  H  H161  1  0.048220  0.114718  0.512892  1
  H  H162  1  0.381553  0.781384  0.512892  1
  H  H163  1  0.160166  0.230446  0.567121  1
  H  H164  1  0.493499  0.897113  0.567121  1
  H  H165  1  0.552790  0.239804  0.557200  1
  H  H166  1  0.945578  0.249097  0.547193  1
  H  H167  1  0.278911  0.915764  0.547193  1
  H  H168  1  0.612244  0.582431  0.547193  1
  H  H169  1  0.826833  0.563780  0.567121  1
  H  H170  1  0.886124  0.906471  0.557200  1
  H  H171  1  0.219457  0.573138  0.557200  1
  H  H172  1  0.144060  0.410763  0.552683  1
  H  H173  1  0.477394  0.077430  0.552683  1
  H  H174  1  0.536864  0.420013  0.542762  1
  H  H175  1  0.751462  0.401254  0.562652  1
  H  H176  1  0.084795  0.067920  0.562652  1
  H  H177  1  0.418129  0.734587  0.562652  1
  H  H178  1  0.810727  0.744097  0.552683  1
  H  H179  1  0.870197  0.086679  0.542762  1
  H  H180  1  0.203531  0.753346  0.542762  1
  H  H181  1  0.982416  0.202238  0.596931  1
  H  H182  1  0.315750  0.868905  0.596931  1
  H  H183  1  0.374730  0.211792  0.587065  1
  H  H184  1  0.767484  0.221026  0.577067  1
  H  H185  1  0.100817  0.887693  0.577067  1
  H  H186  1  0.434151  0.554360  0.577067  1
  H  H187  1  0.649083  0.535572  0.596931  1
  H  H188  1  0.708063  0.878459  0.587065  1
  H  H189  1  0.041397  0.545125  0.587065  1
  H  H190  1  0.965793  0.382816  0.582499  1
  H  H191  1  0.299126  0.049483  0.582499  1
  H  H192  1  0.358699  0.392183  0.572571  1
  H  H193  1  0.573588  0.373190  0.592536  1
  H  H194  1  0.906921  0.039856  0.592536  1
  H  H195  1  0.240255  0.706523  0.592536  1
  H  H196  1  0.632459  0.716150  0.582499  1
  H  H197  1  0.692032  0.058850  0.572571  1
  H  H198  1  0.025365  0.725516  0.572571  1
  H  H199  1  0.804677  0.174373  0.626694  1
  H  H200  1  0.138010  0.841040  0.626694  1
  H  H201  1  0.197093  0.183892  0.617007  1
  H  H202  1  0.589167  0.193165  0.607058  1
  H  H203  1  0.922501  0.859831  0.607058  1
  H  H204  1  0.255834  0.526498  0.607058  1
  H  H205  1  0.471344  0.507706  0.626694  1
  H  H206  1  0.530427  0.850558  0.617007  1
  H  H207  1  0.863760  0.517225  0.617007  1
  H  H208  1  0.787829  0.354591  0.612426  1
  H  H209  1  0.121162  0.021257  0.612426  1
  H  H210  1  0.180253  0.364117  0.602336  1
  H  H211  1  0.394619  0.346001  0.622098  1
  H  H212  1  0.727953  0.012668  0.622098  1
  H  H213  1  0.061286  0.679335  0.622098  1
  H  H214  1  0.454495  0.687924  0.612426  1
  H  H215  1  0.513586  0.030784  0.602336  1
  H  H216  1  0.846919  0.697451  0.602336  1
  H  H217  1  0.627476  0.146868  0.656986  1
  H  H218  1  0.960809  0.813534  0.656986  1
  H  H219  1  0.020553  0.155348  0.646726  1
  H  H220  1  0.411900  0.164943  0.636945  1
  H  H221  1  0.745233  0.831610  0.636945  1
  H  H222  1  0.078566  0.498277  0.636945  1
  H  H223  1  0.294143  0.480201  0.656986  1
  H  H224  1  0.353887  0.822015  0.646726  1
  H  H225  1  0.687220  0.488682  0.646726  1
  H  H226  1  0.610265  0.326078  0.642277  1
  H  H227  1  0.943598  0.992745  0.642277  1
  H  H228  1  1.001375  0.335874  0.631991  1
  H  H229  1  0.214345  0.318874  0.652005  1
  H  H230  1  0.547678  0.985540  0.652005  1
  H  H231  1  0.881012  0.652207  0.652005  1
  H  H232  1  0.276932  0.659411  0.642277  1
  H  H233  1  0.334709  0.002541  0.631991  1
  H  H234  1  0.668042  0.669208  0.631991  1
  H  H235  1  0.457684  0.120859  0.688150  1
  H  H236  1  0.791017  0.787525  0.688150  1
  H  H237  1  0.843144  0.128639  0.675778  1
  H  H238  1  0.238266  0.136331  0.666854  1
  H  H239  1  0.571599  0.802997  0.666854  1
  H  H240  1  0.904932  0.469664  0.666854  1
  H  H241  1  0.124351  0.454192  0.688150  1
  H  H242  1  0.176478  0.795306  0.675778  1
  H  H243  1  0.509811  0.461973  0.675778  1
  H  H244  1  0.428102  0.299026  0.671156  1
  H  H245  1  0.761435  0.965693  0.671156  1
  H  H246  1  0.823293  0.308555  0.662219  1
  H  H247  1  0.041042  0.287072  0.681345  1
  H  H248  1  0.374375  0.953739  0.681345  1
  H  H249  1  0.707709  0.620406  0.681345  1
  H  H250  1  0.094768  0.632359  0.671156  1
  H  H251  1  0.156627  0.975221  0.662219  1
  H  H252  1  0.489960  0.641888  0.662219  1
  H  H253  1  0.279922  0.083331  0.716701  1
  H  H254  1  0.613255  0.749998  0.716701  1
  H  H255  1  0.688716  0.092487  0.708882  1
  H  H256  1  0.058578  0.107014  0.697187  1
  H  H257  1  0.391912  0.773681  0.697187  1
  H  H258  1  0.725245  0.440347  0.697187  1
  H  H259  1  0.946588  0.416665  0.716701  1
  H  H260  1  0.022049  0.759154  0.708882  1
  H  H261  1  0.355383  0.425821  0.708882  1
  H  H262  1  0.253657  0.271941  0.703193  1
  H  H263  1  0.586990  0.938608  0.703193  1
  H  H264  1  0.635320  0.282403  0.693711  1
  H  H265  1  0.862912  0.253464  0.712397  1
  H  H266  1  0.196245  0.920130  0.712397  1
  H  H267  1  0.529579  0.586797  0.712397  1
  H  H268  1  0.920323  0.605275  0.703193  1
  H  H269  1  0.968653  0.949070  0.693711  1
  H  H270  1  0.301986  0.615736  0.693711  1
