# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20145710
_cell_length_b   11.69835394
_cell_length_c   49.28491412
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.21006006
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H234
_cell_volume   4684.93264857
_cell_formula_units_Z   117
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  0.964365  0.582265  0.279020  1
  H  H2  1  0.297698  0.248932  0.279020  1
  H  H3  1  0.234713  0.582883  0.291140  1
  H  H4  1  0.631031  0.915598  0.279020  1
  H  H5  1  0.568046  0.249550  0.291140  1
  H  H6  1  0.681921  0.600917  0.268097  1
  H  H7  1  0.901380  0.916216  0.291140  1
  H  H8  1  0.015254  0.267583  0.268097  1
  H  H9  1  0.348587  0.934250  0.268097  1
  H  H10  1  0.903434  0.769510  0.259754  1
  H  H11  1  0.236767  0.436177  0.259754  1
  H  H12  1  0.195181  0.765510  0.270655  1
  H  H13  1  0.570101  0.102844  0.259754  1
  H  H14  1  0.528514  0.432177  0.270655  1
  H  H15  1  0.481363  0.750598  0.282821  1
  H  H16  1  0.861848  0.098843  0.270655  1
  H  H17  1  0.814696  0.417264  0.282821  1
  H  H18  1  0.148030  0.083931  0.282821  1
  H  H19  1  0.770264  0.562888  0.314900  1
  H  H20  1  0.103597  0.229554  0.314900  1
  H  H21  1  0.036906  0.559218  0.326359  1
  H  H22  1  0.436931  0.896221  0.314900  1
  H  H23  1  0.370239  0.225885  0.326359  1
  H  H24  1  0.500136  0.572913  0.303914  1
  H  H25  1  0.703572  0.892551  0.326359  1
  H  H26  1  0.833469  0.239580  0.303914  1
  H  H27  1  0.166802  0.906247  0.303914  1
  H  H28  1  0.758250  0.742192  0.297317  1
  H  H29  1  0.091583  0.408858  0.297317  1
  H  H30  1  0.030505  0.736366  0.307216  1
  H  H31  1  0.424916  0.075525  0.297317  1
  H  H32  1  0.363839  0.403032  0.307216  1
  H  H33  1  0.302711  0.730276  0.318761  1
  H  H34  1  0.697172  0.069699  0.307216  1
  H  H35  1  0.636045  0.396942  0.318761  1
  H  H36  1  0.969378  0.063609  0.318761  1
  H  H37  1  0.573872  0.543618  0.349573  1
  H  H38  1  0.907206  0.210285  0.349573  1
  H  H39  1  0.842704  0.536605  0.360875  1
  H  H40  1  0.240539  0.876952  0.349573  1
  H  H41  1  0.176038  0.203271  0.360875  1
  H  H42  1  0.304465  0.550948  0.337811  1
  H  H43  1  0.509371  0.869938  0.360875  1
  H  H44  1  0.637799  0.217614  0.337811  1
  H  H45  1  0.971132  0.884281  0.337811  1
  H  H46  1  0.573362  0.721707  0.330614  1
  H  H47  1  0.906696  0.388373  0.330614  1
  H  H48  1  0.844154  0.714954  0.342216  1
  H  H49  1  0.240029  0.055040  0.330614  1
  H  H50  1  0.177487  0.381621  0.342216  1
  H  H51  1  0.114055  0.708364  0.353305  1
  H  H52  1  0.510821  0.048288  0.342216  1
  H  H53  1  0.447388  0.375031  0.353305  1
  H  H54  1  0.780721  0.041698  0.353305  1
  H  H55  1  0.380351  0.522422  0.383726  1
  H  H56  1  0.713685  0.189089  0.383726  1
  H  H57  1  0.649807  0.515232  0.395252  1
  H  H58  1  0.047018  0.855756  0.383726  1
  H  H59  1  0.983140  0.181899  0.395252  1
  H  H60  1  0.111302  0.529971  0.372277  1
  H  H61  1  0.316474  0.848566  0.395252  1
  H  H62  1  0.444635  0.196638  0.372277  1
  H  H63  1  0.777968  0.863305  0.372277  1
  H  H64  1  0.383262  0.700690  0.364860  1
  H  H65  1  0.716595  0.367356  0.364860  1
  H  H66  1  0.652753  0.693772  0.376471  1
  H  H67  1  0.049928  0.034023  0.364860  1
  H  H68  1  0.986087  0.360438  0.376471  1
  H  H69  1  0.922211  0.686724  0.387915  1
  H  H70  1  0.319420  0.027105  0.376471  1
  H  H71  1  0.255545  0.353390  0.387915  1
  H  H72  1  0.588878  0.020057  0.387915  1
  H  H73  1  0.188218  0.501141  0.418164  1
  H  H74  1  0.521551  0.167807  0.418164  1
  H  H75  1  0.457518  0.493928  0.429633  1
  H  H76  1  0.854884  0.834474  0.418164  1
  H  H77  1  0.790851  0.160595  0.429633  1
  H  H78  1  0.918993  0.508254  0.406711  1
  H  H79  1  0.124184  0.827261  0.429633  1
  H  H80  1  0.252326  0.174920  0.406711  1
  H  H81  1  0.585659  0.841587  0.406711  1
  H  H82  1  0.191435  0.679556  0.399319  1
  H  H83  1  0.524769  0.346223  0.399319  1
  H  H84  1  0.460676  0.672282  0.410816  1
  H  H85  1  0.858102  0.012889  0.399319  1
  H  H86  1  0.794009  0.338949  0.410816  1
  H  H87  1  0.729980  0.665208  0.422325  1
  H  H88  1  0.127342  0.005615  0.410816  1
  H  H89  1  0.063313  0.331874  0.422325  1
  H  H90  1  0.396646  0.998541  0.422325  1
  H  H91  1  0.996097  0.479666  0.452590  1
  H  H92  1  0.329430  0.146333  0.452590  1
  H  H93  1  0.265377  0.472532  0.464060  1
  H  H94  1  0.662764  0.812999  0.452590  1
  H  H95  1  0.598710  0.139199  0.464060  1
  H  H96  1  0.726830  0.486761  0.441116  1
  H  H97  1  0.932044  0.805865  0.464060  1
  H  H98  1  0.060163  0.153428  0.441116  1
  H  H99  1  0.393497  0.820095  0.441116  1
  H  H100  1  0.999290  0.658098  0.433788  1
  H  H101  1  0.332623  0.324765  0.433788  1
  H  H102  1  0.268550  0.650934  0.445248  1
  H  H103  1  0.665957  0.991432  0.433788  1
  H  H104  1  0.601883  0.317601  0.445248  1
  H  H105  1  0.537823  0.643765  0.456729  1
  H  H106  1  0.935217  0.984268  0.445248  1
  H  H107  1  0.871156  0.310431  0.456729  1
  H  H108  1  0.204489  0.977098  0.456729  1
  H  H109  1  0.803939  0.458216  0.487008  1
  H  H110  1  0.137272  0.124883  0.487008  1
  H  H111  1  0.073223  0.451091  0.498479  1
  H  H112  1  0.470605  0.791549  0.487008  1
  H  H113  1  0.406557  0.117758  0.498479  1
  H  H114  1  0.534660  0.465367  0.475534  1
  H  H115  1  0.739890  0.784424  0.498479  1
  H  H116  1  0.867994  0.132033  0.475534  1
  H  H117  1  0.201327  0.798700  0.475534  1
  H  H118  1  0.807112  0.636637  0.468209  1
  H  H119  1  0.140445  0.303304  0.468209  1
  H  H120  1  0.076396  0.629512  0.479681  1
  H  H121  1  0.473778  0.969971  0.468209  1
  H  H122  1  0.409730  0.296179  0.479681  1
  H  H123  1  0.345674  0.622362  0.491155  1
  H  H124  1  0.743063  0.962846  0.479681  1
  H  H125  1  0.679008  0.289028  0.491155  1
  H  H126  1  0.012341  0.955695  0.491155  1
  H  H127  1  0.611785  0.436794  0.521440  1
  H  H128  1  0.945118  0.103461  0.521440  1
  H  H129  1  0.881045  0.429630  0.532900  1
  H  H130  1  0.278451  0.770128  0.521440  1
  H  H131  1  0.214378  0.096297  0.532900  1
  H  H132  1  0.342512  0.443964  0.509959  1
  H  H133  1  0.547712  0.762964  0.532900  1
  H  H134  1  0.675846  0.110630  0.509959  1
  H  H135  1  0.009179  0.777297  0.509959  1
  H  H136  1  0.614958  0.615196  0.502629  1
  H  H137  1  0.948291  0.281863  0.502629  1
  H  H138  1  0.884238  0.608063  0.514098  1
  H  H139  1  0.281624  0.948530  0.502629  1
  H  H140  1  0.217571  0.274729  0.514098  1
  H  H141  1  0.153505  0.600967  0.525572  1
  H  H142  1  0.550905  0.941396  0.514098  1
  H  H143  1  0.486838  0.267634  0.525572  1
  H  H144  1  0.820171  0.934300  0.525572  1
  H  H145  1  0.419659  0.415447  0.555873  1
  H  H146  1  0.752992  0.082113  0.555873  1
  H  H147  1  0.688900  0.408173  0.567369  1
  H  H148  1  0.086326  0.748780  0.555873  1
  H  H149  1  0.022233  0.074839  0.567369  1
  H  H150  1  0.150355  0.422521  0.544363  1
  H  H151  1  0.355566  0.741506  0.567369  1
  H  H152  1  0.483688  0.089187  0.544363  1
  H  H153  1  0.817022  0.755854  0.544363  1
  H  H154  1  0.422817  0.593801  0.537056  1
  H  H155  1  0.756151  0.260467  0.537056  1
  H  H156  1  0.692117  0.586588  0.548524  1
  H  H157  1  0.089484  0.927134  0.537056  1
  H  H158  1  0.025451  0.253255  0.548524  1
  H  H159  1  0.961342  0.579475  0.559977  1
  H  H160  1  0.358784  0.919921  0.548524  1
  H  H161  1  0.294676  0.246142  0.559977  1
  H  H162  1  0.628009  0.912808  0.559977  1
  H  H163  1  0.227581  0.393957  0.590218  1
  H  H164  1  0.560915  0.060623  0.590218  1
  H  H165  1  0.497073  0.387039  0.601829  1
  H  H166  1  0.894248  0.727290  0.590218  1
  H  H167  1  0.830406  0.053705  0.601829  1
  H  H168  1  0.958123  0.401005  0.578773  1
  H  H169  1  0.163740  0.720372  0.601829  1
  H  H170  1  0.291457  0.067672  0.578773  1
  H  H171  1  0.624790  0.734338  0.578773  1
  H  H172  1  0.230528  0.572496  0.571436  1
  H  H173  1  0.563861  0.239163  0.571436  1
  H  H174  1  0.499983  0.565306  0.582962  1
  H  H175  1  0.897194  0.905829  0.571436  1
  H  H176  1  0.833317  0.231973  0.582962  1
  H  H177  1  0.769033  0.557757  0.594411  1
  H  H178  1  0.166650  0.898640  0.582962  1
  H  H179  1  0.102366  0.224424  0.594411  1
  H  H180  1  0.435700  0.891090  0.594411  1
  H  H181  1  0.036181  0.372774  0.624473  1
  H  H182  1  0.369514  0.039441  0.624473  1
  H  H183  1  0.306973  0.366022  0.636074  1
  H  H184  1  0.702847  0.706108  0.624473  1
  H  H185  1  0.640306  0.032688  0.636074  1
  H  H186  1  0.766280  0.379364  0.613383  1
  H  H187  1  0.973639  0.699355  0.636074  1
  H  H188  1  0.099613  0.046031  0.613383  1
  H  H189  1  0.432947  0.712697  0.613383  1
  H  H190  1  0.037630  0.551124  0.605813  1
  H  H191  1  0.370964  0.217790  0.605813  1
  H  H192  1  0.306463  0.544110  0.617115  1
  H  H193  1  0.704297  0.884457  0.605813  1
  H  H194  1  0.639796  0.210777  0.617115  1
  H  H195  1  0.575869  0.536781  0.628877  1
  H  H196  1  0.973129  0.877444  0.617115  1
  H  H197  1  0.909203  0.203447  0.628877  1
  H  H198  1  0.242536  0.870114  0.628877  1
  H  H199  1  0.849830  0.351363  0.659473  1
  H  H200  1  0.183163  0.018029  0.659473  1
  H  H201  1  0.122085  0.345537  0.669371  1
  H  H202  1  0.516496  0.684696  0.659473  1
  H  H203  1  0.455419  0.012203  0.669371  1
  H  H204  1  0.577623  0.357453  0.647928  1
  H  H205  1  0.788752  0.678870  0.669371  1
  H  H206  1  0.910957  0.024120  0.647928  1
  H  H207  1  0.244290  0.690786  0.647928  1
  H  H208  1  0.843429  0.528510  0.640330  1
  H  H209  1  0.176763  0.195177  0.640330  1
  H  H210  1  0.110071  0.524841  0.651788  1
  H  H211  1  0.510096  0.861844  0.640330  1
  H  H212  1  0.443404  0.191508  0.651788  1
  H  H213  1  0.380199  0.514815  0.662775  1
  H  H214  1  0.776737  0.858174  0.651788  1
  H  H215  1  0.713533  0.181482  0.662775  1
  H  H216  1  0.046866  0.848149  0.662775  1
  H  H217  1  0.685154  0.322218  0.696033  1
  H  H218  1  0.018487  0.988885  0.696033  1
  H  H219  1  0.976901  0.318218  0.706934  1
  H  H220  1  0.351820  0.655552  0.696033  1
  H  H221  1  0.310234  0.984885  0.706934  1
  H  H222  1  0.398972  0.337131  0.683867  1
  H  H223  1  0.643567  0.651551  0.706934  1
  H  H224  1  0.732305  0.003798  0.683867  1
  H  H225  1  0.065639  0.670464  0.683867  1
  H  H226  1  0.645622  0.504846  0.675548  1
  H  H227  1  0.978955  0.171512  0.675548  1
  H  H228  1  0.915970  0.505464  0.687668  1
  H  H229  1  0.312288  0.838179  0.675548  1
  H  H230  1  0.249303  0.172130  0.687668  1
  H  H231  1  0.198414  0.486812  0.698591  1
  H  H232  1  0.582637  0.838797  0.687668  1
  H  H233  1  0.531747  0.153478  0.698591  1
  H  H234  1  0.865081  0.820145  0.698591  1
