# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98138286
_cell_length_b   12.39578177
_cell_length_c   46.11601841
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.70104330
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H270
_cell_volume   5447.70375103
_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  0.774797  0.480713  0.295278  1
  H  H2  1  0.108130  0.147380  0.295278  1
  H  H3  1  0.156062  0.491156  0.285794  1
  H  H4  1  0.546986  0.509681  0.276693  1
  H  H5  1  0.880319  0.176347  0.276693  1
  H  H6  1  0.213652  0.843014  0.276693  1
  H  H7  1  0.441464  0.814047  0.295278  1
  H  H8  1  0.489395  0.157823  0.285794  1
  H  H9  1  0.822729  0.824489  0.285794  1
  H  H10  1  0.719442  0.670896  0.280007  1
  H  H11  1  0.052775  0.337563  0.280007  1
  H  H12  1  0.129172  0.680058  0.272331  1
  H  H13  1  0.350990  0.656036  0.291815  1
  H  H14  1  0.684323  0.322703  0.291815  1
  H  H15  1  0.017657  0.989369  0.291815  1
  H  H16  1  0.386108  0.004230  0.280007  1
  H  H17  1  0.462506  0.346725  0.272331  1
  H  H18  1  0.795839  0.013391  0.272331  1
  H  H19  1  0.586783  0.454299  0.326701  1
  H  H20  1  0.920117  0.120966  0.326701  1
  H  H21  1  0.982124  0.463814  0.317790  1
  H  H22  1  0.368824  0.475905  0.307649  1
  H  H23  1  0.702158  0.142572  0.307649  1
  H  H24  1  0.035491  0.809239  0.307649  1
  H  H25  1  0.253450  0.787633  0.326701  1
  H  H26  1  0.315458  0.130480  0.317790  1
  H  H27  1  0.648791  0.797147  0.317790  1
  H  H28  1  0.566522  0.634299  0.313234  1
  H  H29  1  0.899856  0.300965  0.313234  1
  H  H30  1  0.951165  0.642033  0.300665  1
  H  H31  1  0.171113  0.626627  0.322008  1
  H  H32  1  0.504446  0.293294  0.322008  1
  H  H33  1  0.837779  0.959960  0.322008  1
  H  H34  1  0.233189  0.967632  0.313234  1
  H  H35  1  0.284498  0.308700  0.300665  1
  H  H36  1  0.617831  0.975366  0.300665  1
  H  H37  1  0.408929  0.426905  0.356872  1
  H  H38  1  0.742263  0.093572  0.356872  1
  H  H39  1  0.799782  0.436843  0.346582  1
  H  H40  1  0.195909  0.443915  0.336870  1
  H  H41  1  0.529242  0.110582  0.336870  1
  H  H42  1  0.862575  0.777248  0.336870  1
  H  H43  1  0.075596  0.760239  0.356872  1
  H  H44  1  0.133115  0.103510  0.346582  1
  H  H45  1  0.466449  0.770176  0.346582  1
  H  H46  1  0.389138  0.607516  0.342151  1
  H  H47  1  0.722471  0.274183  0.342151  1
  H  H48  1  0.782343  0.615992  0.331902  1
  H  H49  1  0.997969  0.597926  0.351872  1
  H  H50  1  0.331303  0.264592  0.351872  1
  H  H51  1  0.664636  0.931259  0.351872  1
  H  H52  1  0.055804  0.940850  0.342151  1
  H  H53  1  0.115677  0.282659  0.331902  1
  H  H54  1  0.449010  0.949326  0.331902  1
  H  H55  1  0.229950  0.398721  0.386417  1
  H  H56  1  0.563283  0.065387  0.386417  1
  H  H57  1  0.622391  0.408276  0.376364  1
  H  H58  1  0.015524  0.416879  0.366683  1
  H  H59  1  0.348857  0.083545  0.366683  1
  H  H60  1  0.682191  0.750212  0.366683  1
  H  H61  1  0.896616  0.732054  0.386417  1
  H  H62  1  0.955724  0.074942  0.376364  1
  H  H63  1  0.289058  0.741609  0.376364  1
  H  H64  1  0.212830  0.578929  0.371768  1
  H  H65  1  0.546164  0.245596  0.371768  1
  H  H66  1  0.605191  0.588507  0.362134  1
  H  H67  1  0.820797  0.569717  0.381694  1
  H  H68  1  0.154131  0.236384  0.381694  1
  H  H69  1  0.487464  0.903050  0.381694  1
  H  H70  1  0.879497  0.912262  0.371768  1
  H  H71  1  0.938525  0.255173  0.362134  1
  H  H72  1  0.271858  0.921840  0.362134  1
  H  H73  1  0.051372  0.370705  0.416048  1
  H  H74  1  0.384705  0.037371  0.416048  1
  H  H75  1  0.444376  0.380039  0.406196  1
  H  H76  1  0.836531  0.389719  0.396160  1
  H  H77  1  0.169864  0.056386  0.396160  1
  H  H78  1  0.503197  0.723053  0.396160  1
  H  H79  1  0.718039  0.704038  0.416048  1
  H  H80  1  0.777710  0.046706  0.406196  1
  H  H81  1  0.111043  0.713372  0.406196  1
  H  H82  1  0.035259  0.551066  0.401625  1
  H  H83  1  0.368592  0.217733  0.401625  1
  H  H84  1  0.427529  0.560619  0.391806  1
  H  H85  1  0.642474  0.541859  0.411606  1
  H  H86  1  0.975807  0.208525  0.411606  1
  H  H87  1  0.309141  0.875192  0.411606  1
  H  H88  1  0.701925  0.884400  0.401625  1
  H  H89  1  0.760862  0.227286  0.391806  1
  H  H90  1  0.094195  0.893952  0.391806  1
  H  H91  1  0.873165  0.342893  0.445766  1
  H  H92  1  0.206499  0.009559  0.445766  1
  H  H93  1  0.265982  0.352113  0.435886  1
  H  H94  1  0.658630  0.361634  0.425957  1
  H  H95  1  0.991963  0.028301  0.425957  1
  H  H96  1  0.325296  0.694967  0.425957  1
  H  H97  1  0.539832  0.676226  0.445766  1
  H  H98  1  0.599315  0.018779  0.435886  1
  H  H99  1  0.932648  0.685446  0.435886  1
  H  H100  1  0.857162  0.523076  0.431400  1
  H  H101  1  0.190495  0.189743  0.431400  1
  H  H102  1  0.249801  0.532416  0.421519  1
  H  H103  1  0.464361  0.513778  0.441387  1
  H  H104  1  0.797694  0.180444  0.441387  1
  H  H105  1  0.131027  0.847111  0.441387  1
  H  H106  1  0.523828  0.856409  0.431400  1
  H  H107  1  0.583134  0.199083  0.421519  1
  H  H108  1  0.916468  0.865750  0.421519  1
  H  H109  1  0.695083  0.314847  0.475543  1
  H  H110  1  0.028417  0.981514  0.475543  1
  H  H111  1  0.087813  0.324143  0.465617  1
  H  H112  1  0.480536  0.333480  0.455724  1
  H  H113  1  0.813869  1.000147  0.455724  1
  H  H114  1  0.147203  0.666813  0.455724  1
  H  H115  1  0.361750  0.648181  0.475543  1
  H  H116  1  0.421146  0.990809  0.465617  1
  H  H117  1  0.754479  0.657476  0.465617  1
  H  H118  1  0.678985  0.495097  0.461208  1
  H  H119  1  0.012318  0.161764  0.461208  1
  H  H120  1  0.071703  0.504376  0.451271  1
  H  H121  1  0.286259  0.485715  0.471135  1
  H  H122  1  0.619592  0.152381  0.471135  1
  H  H123  1  0.952925  0.819048  0.471135  1
  H  H124  1  0.345652  0.828430  0.461208  1
  H  H125  1  0.405036  0.171042  0.451271  1
  H  H126  1  0.738369  0.837709  0.451271  1
  H  H127  1  0.516957  0.286804  0.505318  1
  H  H128  1  0.850290  0.953471  0.505318  1
  H  H129  1  0.909671  0.296157  0.495370  1
  H  H130  1  0.302398  0.305474  0.485466  1
  H  H131  1  0.635731  0.972140  0.485466  1
  H  H132  1  0.969064  0.638807  0.485466  1
  H  H133  1  0.183624  0.620137  0.505318  1
  H  H134  1  0.243004  0.962824  0.495370  1
  H  H135  1  0.576337  0.629491  0.495370  1
  H  H136  1  0.500856  0.467031  0.490981  1
  H  H137  1  0.834190  0.133697  0.490981  1
  H  H138  1  0.893570  0.476384  0.481033  1
  H  H139  1  0.108129  0.457714  0.500884  1
  H  H140  1  0.441462  0.124381  0.500884  1
  H  H141  1  0.774796  0.791048  0.500884  1
  H  H142  1  0.167523  0.800364  0.490981  1
  H  H143  1  0.226903  0.143051  0.481033  1
  H  H144  1  0.560236  0.809717  0.481033  1
  H  H145  1  0.338824  0.258812  0.535080  1
  H  H146  1  0.672157  0.925479  0.535080  1
  H  H147  1  0.731542  0.268091  0.525142  1
  H  H148  1  0.124268  0.277474  0.515215  1
  H  H149  1  0.457601  0.944140  0.515215  1
  H  H150  1  0.790935  0.610807  0.515215  1
  H  H151  1  0.005491  0.592146  0.535080  1
  H  H152  1  0.064875  0.934758  0.525142  1
  H  H153  1  0.398208  0.601424  0.525142  1
  H  H154  1  0.322714  0.439045  0.520734  1
  H  H155  1  0.656047  0.105712  0.520734  1
  H  H156  1  0.715443  0.448341  0.510808  1
  H  H157  1  0.929991  0.429708  0.530627  1
  H  H158  1  0.263324  0.096375  0.530627  1
  H  H159  1  0.596657  0.763041  0.530627  1
  H  H160  1  0.989381  0.772379  0.520734  1
  H  H161  1  0.048777  0.115007  0.510808  1
  H  H162  1  0.382110  0.781674  0.510808  1
  H  H163  1  0.160726  0.230772  0.564832  1
  H  H164  1  0.494059  0.897439  0.564832  1
  H  H165  1  0.553365  0.240112  0.554951  1
  H  H166  1  0.946166  0.249410  0.544963  1
  H  H167  1  0.279499  0.916077  0.544963  1
  H  H168  1  0.612833  0.582744  0.544963  1
  H  H169  1  0.827393  0.564105  0.564832  1
  H  H170  1  0.886698  0.906779  0.554951  1
  H  H171  1  0.220032  0.573445  0.554951  1
  H  H172  1  0.144545  0.411075  0.550465  1
  H  H173  1  0.477878  0.077742  0.550465  1
  H  H174  1  0.537361  0.420295  0.540584  1
  H  H175  1  0.751897  0.401554  0.560394  1
  H  H176  1  0.085230  0.068221  0.560394  1
  H  H177  1  0.418564  0.734887  0.560394  1
  H  H178  1  0.811212  0.744409  0.550465  1
  H  H179  1  0.870695  0.086962  0.540584  1
  H  H180  1  0.204028  0.753629  0.540584  1
  H  H181  1  0.982998  0.202569  0.594544  1
  H  H182  1  0.316332  0.869236  0.594544  1
  H  H183  1  0.375268  0.212122  0.584725  1
  H  H184  1  0.768053  0.221329  0.574745  1
  H  H185  1  0.101386  0.887996  0.574745  1
  H  H186  1  0.434719  0.554663  0.574745  1
  H  H187  1  0.649665  0.535902  0.594544  1
  H  H188  1  0.708601  0.878788  0.584725  1
  H  H189  1  0.041935  0.545455  0.584725  1
  H  H190  1  0.966150  0.383149  0.580155  1
  H  H191  1  0.299484  0.049816  0.580155  1
  H  H192  1  0.359155  0.392483  0.570302  1
  H  H193  1  0.573996  0.373469  0.590190  1
  H  H194  1  0.907329  0.040135  0.590190  1
  H  H195  1  0.240663  0.706802  0.590190  1
  H  H196  1  0.632817  0.716482  0.580155  1
  H  H197  1  0.692488  0.059150  0.570302  1
  H  H198  1  0.025821  0.725817  0.570302  1
  H  H199  1  0.805335  0.174681  0.624217  1
  H  H200  1  0.138669  0.841348  0.624217  1
  H  H201  1  0.197696  0.184259  0.614583  1
  H  H202  1  0.589729  0.193471  0.604656  1
  H  H203  1  0.923063  0.860138  0.604656  1
  H  H204  1  0.256396  0.526804  0.604656  1
  H  H205  1  0.472002  0.508015  0.624217  1
  H  H206  1  0.531030  0.850926  0.614583  1
  H  H207  1  0.864363  0.517592  0.614583  1
  H  H208  1  0.788136  0.354912  0.609986  1
  H  H209  1  0.121469  0.021579  0.609986  1
  H  H210  1  0.180577  0.364467  0.599934  1
  H  H211  1  0.395003  0.346309  0.619668  1
  H  H212  1  0.728336  0.012976  0.619668  1
  H  H213  1  0.061670  0.679643  0.619668  1
  H  H214  1  0.454802  0.688246  0.609986  1
  H  H215  1  0.513910  0.031134  0.599934  1
  H  H216  1  0.847244  0.697801  0.599934  1
  H  H217  1  0.628183  0.147196  0.654449  1
  H  H218  1  0.961517  0.813862  0.654449  1
  H  H219  1  0.021389  0.155672  0.644200  1
  H  H220  1  0.412557  0.165262  0.634479  1
  H  H221  1  0.745891  0.831929  0.634479  1
  H  H222  1  0.079224  0.498596  0.634479  1
  H  H223  1  0.294850  0.480529  0.654449  1
  H  H224  1  0.354722  0.822338  0.644200  1
  H  H225  1  0.688056  0.489005  0.644200  1
  H  H226  1  0.610745  0.326345  0.639769  1
  H  H227  1  0.944078  0.993012  0.639769  1
  H  H228  1  1.001598  0.336283  0.629479  1
  H  H229  1  0.214618  0.319273  0.649481  1
  H  H230  1  0.547951  0.985940  0.649481  1
  H  H231  1  0.881285  0.652606  0.649481  1
  H  H232  1  0.277411  0.659678  0.639769  1
  H  H233  1  0.334931  0.002950  0.629479  1
  H  H234  1  0.668264  0.669616  0.629479  1
  H  H235  1  0.459362  0.121155  0.685686  1
  H  H236  1  0.792695  0.787822  0.685686  1
  H  H237  1  0.844004  0.128889  0.673117  1
  H  H238  1  0.239414  0.136561  0.664342  1
  H  H239  1  0.572747  0.803228  0.664342  1
  H  H240  1  0.906081  0.469894  0.664342  1
  H  H241  1  0.126029  0.454488  0.685686  1
  H  H242  1  0.177338  0.795556  0.673117  1
  H  H243  1  0.510671  0.462223  0.673117  1
  H  H244  1  0.428402  0.299374  0.668561  1
  H  H245  1  0.761736  0.966041  0.668561  1
  H  H246  1  0.823743  0.308889  0.659650  1
  H  H247  1  0.041702  0.287283  0.678701  1
  H  H248  1  0.375036  0.953950  0.678701  1
  H  H249  1  0.708369  0.620616  0.678701  1
  H  H250  1  0.095069  0.632708  0.668561  1
  H  H251  1  0.157077  0.975555  0.659650  1
  H  H252  1  0.490410  0.642222  0.659650  1
  H  H253  1  0.281354  0.083130  0.714020  1
  H  H254  1  0.614688  0.749797  0.714020  1
  H  H255  1  0.691085  0.092292  0.706343  1
  H  H256  1  0.059537  0.107152  0.694535  1
  H  H257  1  0.392870  0.773819  0.694535  1
  H  H258  1  0.726204  0.440486  0.694535  1
  H  H259  1  0.948021  0.416463  0.714020  1
  H  H260  1  0.024418  0.758958  0.706343  1
  H  H261  1  0.357752  0.425625  0.706343  1
  H  H262  1  0.254465  0.272032  0.700557  1
  H  H263  1  0.587798  0.938699  0.700557  1
  H  H264  1  0.635730  0.282475  0.691072  1
  H  H265  1  0.863541  0.253507  0.709657  1
  H  H266  1  0.196874  0.920174  0.709657  1
  H  H267  1  0.530208  0.586841  0.709657  1
  H  H268  1  0.921131  0.605365  0.700557  1
  H  H269  1  0.969063  0.949142  0.691072  1
  H  H270  1  0.302396  0.615808  0.691072  1
