# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97041038
_cell_length_b   17.36729043
_cell_length_c   59.55106861
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.71486730
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H336
_cell_volume   6919.8399798
_cell_formula_units_Z   168
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  0.339895  0.749264  0.181638  1
  H  H2  1  1.006561  0.749264  0.181638  1
  H  H3  1  0.363367  0.263576  0.171967  1
  H  H4  1  0.673228  0.749264  0.181638  1
  H  H5  1  1.030033  0.263576  0.171967  1
  H  H6  1  0.696700  0.263576  0.171967  1
  H  H7  1  0.483891  0.361614  0.193478  1
  H  H8  1  1.150558  0.361614  0.193478  1
  H  H9  1  0.421168  0.877136  0.178885  1
  H  H10  1  0.817225  0.361614  0.193478  1
  H  H11  1  1.087835  0.877136  0.178885  1
  H  H12  1  0.754502  0.877136  0.178885  1
  H  H13  1  0.670648  0.399548  0.160224  1
  H  H14  1  0.337314  0.399548  0.160224  1
  H  H15  1  0.497703  0.005462  0.176273  1
  H  H16  1  1.003981  0.399548  0.160224  1
  H  H17  1  1.164369  0.005462  0.176273  1
  H  H18  1  0.831036  0.005462  0.176273  1
  H  H19  1  0.590976  0.620168  0.184301  1
  H  H20  1  0.257643  0.620168  0.184301  1
  H  H21  1  0.473903  0.095367  0.204751  1
  H  H22  1  0.924309  0.620168  0.184301  1
  H  H23  1  1.140570  0.095367  0.204751  1
  H  H24  1  0.807237  0.095367  0.204751  1
  H  H25  1  0.206522  0.708151  0.214237  1
  H  H26  1  0.873189  0.708151  0.214237  1
  H  H27  1  0.220600  0.221035  0.204131  1
  H  H28  1  0.539855  0.708151  0.214237  1
  H  H29  1  0.887266  0.221035  0.204131  1
  H  H30  1  0.553933  0.221035  0.204131  1
  H  H31  1  0.330640  0.320226  0.224621  1
  H  H32  1  0.997306  0.320226  0.224621  1
  H  H33  1  0.288795  0.836190  0.211521  1
  H  H34  1  0.663973  0.320226  0.224621  1
  H  H35  1  0.955462  0.836190  0.211521  1
  H  H36  1  0.622128  0.836190  0.211521  1
  H  H37  1  0.509436  0.492223  0.187395  1
  H  H38  1  1.176102  0.492223  0.187395  1
  H  H39  1  0.372889  0.963824  0.208934  1
  H  H40  1  0.842769  0.492223  0.187395  1
  H  H41  1  1.039556  0.963824  0.208934  1
  H  H42  1  0.706223  0.963824  0.208934  1
  H  H43  1  0.455479  0.580512  0.217161  1
  H  H44  1  1.122146  0.580512  0.217161  1
  H  H45  1  0.325726  0.051697  0.237638  1
  H  H46  1  0.788813  0.580512  0.217161  1
  H  H47  1  0.992393  0.051697  0.237638  1
  H  H48  1  0.659059  0.051697  0.237638  1
  H  H49  1  1.068427  0.666567  0.246468  1
  H  H50  1  0.735094  0.666567  0.246468  1
  H  H51  1  1.072892  0.178598  0.236094  1
  H  H52  1  0.401760  0.666567  0.246468  1
  H  H53  1  0.739558  0.178598  0.236094  1
  H  H54  1  0.406225  0.178598  0.236094  1
  H  H55  1  1.180488  0.278993  0.255986  1
  H  H56  1  0.847155  0.278993  0.255986  1
  H  H57  1  1.150604  0.794361  0.243595  1
  H  H58  1  0.513821  0.278993  0.255986  1
  H  H59  1  0.817271  0.794361  0.243595  1
  H  H60  1  0.483938  0.794361  0.243595  1
  H  H61  1  0.371447  0.452975  0.220474  1
  H  H62  1  1.038114  0.452975  0.220474  1
  H  H63  1  0.235084  0.922588  0.240903  1
  H  H64  1  0.704780  0.452975  0.220474  1
  H  H65  1  0.901751  0.922588  0.240903  1
  H  H66  1  0.568418  0.922588  0.240903  1
  H  H67  1  0.319542  0.538947  0.249558  1
  H  H68  1  0.986208  0.538947  0.249558  1
  H  H69  1  1.181771  0.009337  0.270086  1
  H  H70  1  0.652875  0.538947  0.249558  1
  H  H71  1  0.848437  0.009337  0.270086  1
  H  H72  1  0.515104  0.009337  0.270086  1
  H  H73  1  0.930613  0.625003  0.278826  1
  H  H74  1  0.597279  0.625003  0.278826  1
  H  H75  1  0.928545  0.136945  0.268014  1
  H  H76  1  0.263946  0.625003  0.278826  1
  H  H77  1  0.595212  0.136945  0.268014  1
  H  H78  1  0.261879  0.136945  0.268014  1
  H  H79  1  1.034700  0.237995  0.287730  1
  H  H80  1  0.701367  0.237995  0.287730  1
  H  H81  1  1.012641  0.752868  0.275871  1
  H  H82  1  0.368033  0.237995  0.287730  1
  H  H83  1  0.679308  0.752868  0.275871  1
  H  H84  1  0.345975  0.752868  0.275871  1
  H  H85  1  0.239017  0.410273  0.252743  1
  H  H86  1  0.905684  0.410273  0.252743  1
  H  H87  1  1.096393  0.880875  0.273053  1
  H  H88  1  0.572351  0.410273  0.252743  1
  H  H89  1  0.763060  0.880875  0.273053  1
  H  H90  1  0.429726  0.880875  0.273053  1
  H  H91  1  1.183071  0.496770  0.281837  1
  H  H92  1  0.849738  0.496770  0.281837  1
  H  H93  1  1.040616  0.967268  0.302377  1
  H  H94  1  0.516404  0.496770  0.281837  1
  H  H95  1  0.707283  0.967268  0.302377  1
  H  H96  1  0.373950  0.967268  0.302377  1
  H  H97  1  0.793334  0.582974  0.311084  1
  H  H98  1  0.460000  0.582974  0.311084  1
  H  H99  1  0.787326  0.095412  0.300080  1
  H  H100  1  1.126667  0.582974  0.311084  1
  H  H101  1  0.453993  0.095412  0.300080  1
  H  H102  1  1.120659  0.095412  0.300080  1
  H  H103  1  0.892053  0.196607  0.319630  1
  H  H104  1  0.558720  0.196607  0.319630  1
  H  H105  1  0.874784  0.711148  0.308155  1
  H  H106  1  0.225386  0.196607  0.319630  1
  H  H107  1  0.541451  0.711148  0.308155  1
  H  H108  1  0.208118  0.711148  0.308155  1
  H  H109  1  1.105156  0.367871  0.284880  1
  H  H110  1  0.771822  0.367871  0.284880  1
  H  H111  1  0.957363  0.839136  0.305279  1
  H  H112  1  0.438489  0.367871  0.284880  1
  H  H113  1  0.624030  0.839136  0.305279  1
  H  H114  1  0.290697  0.839136  0.305279  1
  H  H115  1  1.046772  0.454530  0.314018  1
  H  H116  1  0.713438  0.454530  0.314018  1
  H  H117  1  0.900669  0.925374  0.334619  1
  H  H118  1  0.380105  0.454530  0.314018  1
  H  H119  1  0.567336  0.925374  0.334619  1
  H  H120  1  0.234003  0.925374  0.334619  1
  H  H121  1  0.656129  0.540791  0.343276  1
  H  H122  1  0.322795  0.540791  0.343276  1
  H  H123  1  0.647636  0.053661  0.332197  1
  H  H124  1  0.989462  0.540791  0.343276  1
  H  H125  1  0.314302  0.053661  0.332197  1
  H  H126  1  0.980969  0.053661  0.332197  1
  H  H127  1  0.751176  0.154946  0.351625  1
  H  H128  1  0.417843  0.154946  0.351625  1
  H  H129  1  0.736955  0.669142  0.340382  1
  H  H130  1  1.084509  0.154946  0.351625  1
  H  H131  1  0.403621  0.669142  0.340382  1
  H  H132  1  1.070288  0.669142  0.340382  1
  H  H133  1  0.968598  0.325834  0.316991  1
  H  H134  1  0.635265  0.325834  0.316991  1
  H  H135  1  0.818496  0.797303  0.337511  1
  H  H136  1  0.301932  0.325834  0.316991  1
  H  H137  1  0.485163  0.797303  0.337511  1
  H  H138  1  1.151830  0.797303  0.337511  1
  H  H139  1  0.909705  0.412351  0.346167  1
  H  H140  1  0.576372  0.412351  0.346167  1
  H  H141  1  0.761394  0.883512  0.366825  1
  H  H142  1  0.243039  0.412351  0.346167  1
  H  H143  1  0.428061  0.883512  0.366825  1
  H  H144  1  1.094728  0.883512  0.366825  1
  H  H145  1  0.518879  0.498607  0.375446  1
  H  H146  1  1.185546  0.498607  0.375446  1
  H  H147  1  0.508549  0.011920  0.364342  1
  H  H148  1  0.852213  0.498607  0.375446  1
  H  H149  1  1.175216  0.011920  0.364342  1
  H  H150  1  0.841882  0.011920  0.364342  1
  H  H151  1  0.611400  0.113238  0.383705  1
  H  H152  1  0.278067  0.113238  0.383705  1
  H  H153  1  0.599333  0.627002  0.372566  1
  H  H154  1  0.944734  0.113238  0.383705  1
  H  H155  1  0.266000  0.627002  0.372566  1
  H  H156  1  0.932667  0.627002  0.372566  1
  H  H157  1  0.830387  0.283825  0.349085  1
  H  H158  1  0.497053  0.283825  0.349085  1
  H  H159  1  0.680043  0.755310  0.369706  1
  H  H160  1  1.163720  0.283825  0.349085  1
  H  H161  1  0.346710  0.755310  0.369706  1
  H  H162  1  1.013377  0.755310  0.369706  1
  H  H163  1  0.772111  0.370218  0.378313  1
  H  H164  1  0.438778  0.370218  0.378313  1
  H  H165  1  0.622440  0.841591  0.398982  1
  H  H166  1  1.105444  0.370218  0.378313  1
  H  H167  1  0.289107  0.841591  0.398982  1
  H  H168  1  0.955774  0.841591  0.398982  1
  H  H169  1  0.381425  0.456433  0.407614  1
  H  H170  1  1.048091  0.456433  0.407614  1
  H  H171  1  0.369358  0.970196  0.396475  1
  H  H172  1  0.714758  0.456433  0.407614  1
  H  H173  1  1.036024  0.970196  0.396475  1
  H  H174  1  0.702691  0.970196  0.396475  1
  H  H175  1  0.472209  0.071514  0.415837  1
  H  H176  1  1.138876  0.071514  0.415837  1
  H  H177  1  0.461879  0.584827  0.404734  1
  H  H178  1  0.805542  0.071514  0.415837  1
  H  H179  1  1.128545  0.584827  0.404734  1
  H  H180  1  0.795212  0.584827  0.404734  1
  H  H181  1  0.691651  0.241843  0.381197  1
  H  H182  1  0.358318  0.241843  0.381197  1
  H  H183  1  0.541980  0.713216  0.401866  1
  H  H184  1  1.024984  0.241843  0.381197  1
  H  H185  1  0.208647  0.713216  0.401866  1
  H  H186  1  0.875314  0.713216  0.401866  1
  H  H187  1  0.634048  0.328124  0.410474  1
  H  H188  1  0.300715  0.328124  0.410474  1
  H  H189  1  0.483705  0.799609  0.431094  1
  H  H190  1  0.967381  0.328124  0.410474  1
  H  H191  1  1.150371  0.799609  0.431094  1
  H  H192  1  0.817038  0.799609  0.431094  1
  H  H193  1  0.243803  0.414293  0.439797  1
  H  H194  1  0.910470  0.414293  0.439797  1
  H  H195  1  0.229582  0.928488  0.428554  1
  H  H196  1  0.577137  0.414293  0.439797  1
  H  H197  1  0.896249  0.928488  0.428554  1
  H  H198  1  0.562915  0.928488  0.428554  1
  H  H199  1  0.333122  0.029774  0.447983  1
  H  H200  1  0.999789  0.029774  0.447983  1
  H  H201  1  0.324629  0.542643  0.436903  1
  H  H202  1  0.666456  0.029774  0.447983  1
  H  H203  1  0.991296  0.542643  0.436903  1
  H  H204  1  0.657963  0.542643  0.436903  1
  H  H205  1  0.552697  0.199922  0.413355  1
  H  H206  1  0.219364  0.199922  0.413355  1
  H  H207  1  0.404386  0.671083  0.434012  1
  H  H208  1  0.886030  0.199922  0.413355  1
  H  H209  1  1.071053  0.671083  0.434012  1
  H  H210  1  0.737719  0.671083  0.434012  1
  H  H211  1  0.495595  0.286131  0.442668  1
  H  H212  1  1.162262  0.286131  0.442668  1
  H  H213  1  0.345493  0.757600  0.463188  1
  H  H214  1  0.828928  0.286131  0.442668  1
  H  H215  1  1.012160  0.757600  0.463188  1
  H  H216  1  0.678826  0.757600  0.463188  1
  H  H217  1  1.105974  0.372287  0.472024  1
  H  H218  1  0.772640  0.372287  0.472024  1
  H  H219  1  1.088705  0.886827  0.460549  1
  H  H220  1  0.439307  0.372287  0.472024  1
  H  H221  1  0.755372  0.886827  0.460549  1
  H  H222  1  0.422038  0.886827  0.460549  1
  H  H223  1  0.193432  -0.011977  0.480099  1
  H  H224  1  0.860099  -0.011977  0.480099  1
  H  H225  1  0.187424  0.500460  0.469095  1
  H  H226  1  0.526765  -0.011977  0.480099  1
  H  H227  1  0.854091  0.500460  0.469095  1
  H  H228  1  0.520757  0.500460  0.469095  1
  H  H229  1  0.413422  0.158060  0.445560  1
  H  H230  1  1.080089  0.158060  0.445560  1
  H  H231  1  0.267320  0.628905  0.466162  1
  H  H232  1  0.746755  0.158060  0.445560  1
  H  H233  1  0.933986  0.628905  0.466162  1
  H  H234  1  0.600653  0.628905  0.466162  1
  H  H235  1  0.356728  0.244298  0.474900  1
  H  H236  1  1.023395  0.244298  0.474900  1
  H  H237  1  0.208936  0.715564  0.495299  1
  H  H238  1  0.690061  0.244298  0.474900  1
  H  H239  1  0.875602  0.715564  0.495299  1
  H  H240  1  0.542269  0.715564  0.495299  1
  H  H241  1  0.968117  0.330566  0.504308  1
  H  H242  1  0.634783  0.330566  0.504308  1
  H  H243  1  0.946058  0.845440  0.492449  1
  H  H244  1  0.301450  0.330566  0.504308  1
  H  H245  1  0.612725  0.845440  0.492449  1
  H  H246  1  0.279391  0.845440  0.492449  1
  H  H247  1  1.052213  0.946489  0.512165  1
  H  H248  1  0.718879  0.946489  0.512165  1
  H  H249  1  1.050145  0.458432  0.501353  1
  H  H250  1  0.385546  0.946489  0.512165  1
  H  H251  1  0.716812  0.458432  0.501353  1
  H  H252  1  0.383479  0.458432  0.501353  1
  H  H253  1  0.273475  0.116167  0.477802  1
  H  H254  1  0.940142  0.116167  0.477802  1
  H  H255  1  1.131020  0.586664  0.498342  1
  H  H256  1  0.606808  0.116167  0.477802  1
  H  H257  1  0.797687  0.586664  0.498342  1
  H  H258  1  0.464354  0.586664  0.498342  1
  H  H259  1  0.217698  0.202560  0.507126  1
  H  H260  1  0.884365  0.202560  0.507126  1
  H  H261  1  1.075074  0.673162  0.527436  1
  H  H262  1  0.551032  0.202560  0.507126  1
  H  H263  1  0.741741  0.673162  0.527436  1
  H  H264  1  0.408407  0.673162  0.527436  1
  H  H265  1  0.830153  0.289073  0.536584  1
  H  H266  1  0.496820  0.289073  0.536584  1
  H  H267  1  0.800270  0.804441  0.524194  1
  H  H268  1  1.163487  0.289073  0.536584  1
  H  H269  1  0.466937  0.804441  0.524194  1
  H  H270  1  1.133603  0.804441  0.524194  1
  H  H271  1  0.907866  0.904836  0.544085  1
  H  H272  1  0.574533  0.904836  0.544085  1
  H  H273  1  0.912331  0.416867  0.533711  1
  H  H274  1  0.241200  0.904836  0.544085  1
  H  H275  1  0.578997  0.416867  0.533711  1
  H  H276  1  0.245664  0.416867  0.533711  1
  H  H277  1  1.132321  0.074097  0.510094  1
  H  H278  1  0.798987  0.074097  0.510094  1
  H  H279  1  0.994550  0.544487  0.530621  1
  H  H280  1  0.465654  0.074097  0.510094  1
  H  H281  1  0.661216  0.544487  0.530621  1
  H  H282  1  0.327883  0.544487  0.530621  1
  H  H283  1  1.079007  0.160846  0.539276  1
  H  H284  1  0.745674  0.160846  0.539276  1
  H  H285  1  0.942644  0.630460  0.559706  1
  H  H286  1  0.412340  0.160846  0.539276  1
  H  H287  1  0.609311  0.630460  0.559706  1
  H  H288  1  0.275978  0.630460  0.559706  1
  H  H289  1  0.691963  0.247244  0.568659  1
  H  H290  1  0.358630  0.247244  0.568659  1
  H  H291  1  0.650118  0.763208  0.555559  1
  H  H292  1  1.025296  0.247244  0.568659  1
  H  H293  1  0.316785  0.763208  0.555559  1
  H  H294  1  0.983451  0.763208  0.555559  1
  H  H295  1  0.760158  0.862400  0.576048  1
  H  H296  1  0.426825  0.862400  0.576048  1
  H  H297  1  0.774236  0.375283  0.565943  1
  H  H298  1  1.093492  0.862400  0.576048  1
  H  H299  1  0.440902  0.375283  0.565943  1
  H  H300  1  1.107569  0.375283  0.565943  1
  H  H301  1  0.988365  0.031737  0.542542  1
  H  H302  1  0.655032  0.031737  0.542542  1
  H  H303  1  0.858612  0.502922  0.563018  1
  H  H304  1  0.321699  0.031737  0.542542  1
  H  H305  1  0.525279  0.502922  0.563018  1
  H  H306  1  0.191945  0.502922  0.563018  1
  H  H307  1  0.941202  0.119610  0.571246  1
  H  H308  1  0.607869  0.119610  0.571246  1
  H  H309  1  0.804656  0.591212  0.592784  1
  H  H310  1  0.274535  0.119610  0.571246  1
  H  H311  1  0.471322  0.591212  0.592784  1
  H  H312  1  1.137989  0.591212  0.592784  1
  H  H313  1  0.559590  0.206299  0.601294  1
  H  H314  1  0.226256  0.206299  0.601294  1
  H  H315  1  0.496867  0.721821  0.586701  1
  H  H316  1  0.892923  0.206299  0.601294  1
  H  H317  1  1.163533  0.721821  0.586701  1
  H  H318  1  0.830200  0.721821  0.586701  1
  H  H319  1  0.617391  0.819859  0.608212  1
  H  H320  1  0.284058  0.819859  0.608212  1
  H  H321  1  0.640863  0.334170  0.598541  1
  H  H322  1  0.950725  0.819859  0.608212  1
  H  H323  1  0.307530  0.334170  0.598541  1
  H  H324  1  0.974197  0.334170  0.598541  1
  H  H325  1  0.840188  -0.011933  0.575429  1
  H  H326  1  0.506854  -0.011933  0.575429  1
  H  H327  1  0.723115  0.463266  0.595878  1
  H  H328  1  1.173521  -0.011933  0.575429  1
  H  H329  1  0.389782  0.463266  0.595878  1
  H  H330  1  1.056449  0.463266  0.595878  1
  H  H331  1  0.816389  0.077972  0.603906  1
  H  H332  1  0.483055  0.077972  0.603906  1
  H  H333  1  0.643444  0.683886  0.619956  1
  H  H334  1  1.149722  0.077972  0.603906  1
  H  H335  1  0.310110  0.683886  0.619956  1
  H  H336  1  0.976777  0.683886  0.619956  1
