# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92600025
_cell_length_b   24.47574398
_cell_length_c   46.45519509
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.59991373
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H540
_cell_volume   11165.0388473
_cell_formula_units_Z   270
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  0.757033  0.891322  0.297108  1
  H  H2  1  0.090367  0.557989  0.297108  1
  H  H3  1  0.160650  0.887239  0.287600  1
  H  H4  1  0.374767  0.888136  0.307530  1
  H  H5  1  0.708101  0.554803  0.307530  1
  H  H6  1  0.041434  0.221469  0.307530  1
  H  H7  1  0.423700  0.224655  0.297108  1
  H  H8  1  0.493983  0.553906  0.287600  1
  H  H9  1  0.827317  0.220572  0.287600  1
  H  H10  1  0.723165  0.722464  0.278327  1
  H  H11  1  0.056498  0.389131  0.278327  1
  H  H12  1  0.934664  0.723956  0.298999  1
  H  H13  1  0.321614  0.722897  0.287827  1
  H  H14  1  0.654947  0.389564  0.287827  1
  H  H15  1  0.988281  0.056231  0.287827  1
  H  H16  1  0.389832  0.055797  0.278327  1
  H  H17  1  0.267997  0.390623  0.298999  1
  H  H18  1  0.601330  0.057289  0.298999  1
  H  H19  1  0.613421  0.639274  0.283625  1
  H  H20  1  0.946754  0.305941  0.283625  1
  H  H21  1  0.001032  0.644467  0.273286  1
  H  H22  1  0.400371  0.638520  0.264273  1
  H  H23  1  0.733704  0.305187  0.264273  1
  H  H24  1  0.067037  0.971853  0.264273  1
  H  H25  1  0.280087  0.972607  0.283625  1
  H  H26  1  0.334366  0.311134  0.273286  1
  H  H27  1  0.667699  0.977801  0.273286  1
  H  H28  1  0.838334  0.806740  0.273957  1
  H  H29  1  0.171668  0.473407  0.273957  1
  H  H30  1  0.058263  0.800800  0.292198  1
  H  H31  1  0.440490  0.803977  0.282628  1
  H  H32  1  0.773823  0.470643  0.282628  1
  H  H33  1  0.107156  0.137310  0.282628  1
  H  H34  1  0.505001  0.140073  0.273957  1
  H  H35  1  0.391596  0.467467  0.292198  1
  H  H36  1  0.724930  0.134133  0.292198  1
  H  H37  1  0.579281  0.887625  0.328366  1
  H  H38  1  0.912615  0.554292  0.328366  1
  H  H39  1  0.973071  0.885131  0.316917  1
  H  H40  1  0.181907  0.886678  0.338019  1
  H  H41  1  0.515240  0.553344  0.338019  1
  H  H42  1  0.848573  0.220011  0.338019  1
  H  H43  1  0.245948  0.220959  0.328366  1
  H  H44  1  0.306404  0.551797  0.316917  1
  H  H45  1  0.639737  0.218464  0.316917  1
  H  H46  1  0.534447  0.721295  0.308321  1
  H  H47  1  0.867780  0.387961  0.308321  1
  H  H48  1  0.745172  0.720616  0.328450  1
  H  H49  1  0.143246  0.718575  0.318755  1
  H  H50  1  0.476579  0.385241  0.318755  1
  H  H51  1  0.809913  0.051908  0.318755  1
  H  H52  1  0.201114  0.054628  0.308321  1
  H  H53  1  0.078506  0.387283  0.328450  1
  H  H54  1  0.411839  0.053950  0.328450  1
  H  H55  1  0.424379  0.637714  0.314299  1
  H  H56  1  0.757712  0.304380  0.314299  1
  H  H57  1  0.821497  0.637792  0.303850  1
  H  H58  1  0.214686  0.636684  0.293952  1
  H  H59  1  0.548020  0.303350  0.293952  1
  H  H60  1  0.881353  0.970017  0.293952  1
  H  H61  1  0.091045  0.971047  0.314299  1
  H  H62  1  0.154831  0.304459  0.303850  1
  H  H63  1  0.488164  0.971126  0.303850  1
  H  H64  1  0.649676  0.806187  0.303688  1
  H  H65  1  0.983010  0.472854  0.303688  1
  H  H66  1  0.859996  0.805049  0.323741  1
  H  H67  1  0.258131  0.805027  0.314090  1
  H  H68  1  0.591464  0.471694  0.314090  1
  H  H69  1  0.924797  0.138361  0.314090  1
  H  H70  1  0.316343  0.139521  0.303688  1
  H  H71  1  0.193329  0.471715  0.323741  1
  H  H72  1  0.526663  0.138382  0.323741  1
  H  H73  1  0.390215  0.884230  0.358028  1
  H  H74  1  0.723548  0.550897  0.358028  1
  H  H75  1  0.786736  0.885819  0.347989  1
  H  H76  1  0.995403  0.881836  0.367762  1
  H  H77  1  0.328736  0.548502  0.367762  1
  H  H78  1  0.662070  0.215169  0.367762  1
  H  H79  1  0.056882  0.217564  0.358028  1
  H  H80  1  0.120069  0.552486  0.347989  1
  H  H81  1  0.453402  0.219152  0.347989  1
  H  H82  1  0.349733  0.719387  0.338550  1
  H  H83  1  0.683067  0.386053  0.338550  1
  H  H84  1  0.557813  0.717529  0.358292  1
  H  H85  1  0.952840  0.719397  0.348718  1
  H  H86  1  0.286174  0.386063  0.348718  1
  H  H87  1  0.619507  0.052730  0.348718  1
  H  H88  1  0.016400  0.052720  0.338550  1
  H  H89  1  0.891146  0.384195  0.358292  1
  H  H90  1  0.224479  0.050862  0.358292  1
  H  H91  1  0.237895  0.633425  0.343658  1
  H  H92  1  0.571228  0.300092  0.343658  1
  H  H93  1  0.632740  0.636626  0.333741  1
  H  H94  1  0.027531  0.638760  0.324451  1
  H  H95  1  0.360864  0.305427  0.324451  1
  H  H96  1  0.694197  0.972094  0.324451  1
  H  H97  1  0.904562  0.966758  0.343658  1
  H  H98  1  0.966074  0.303293  0.333741  1
  H  H99  1  0.299407  0.969959  0.333741  1
  H  H100  1  0.465147  0.802867  0.333799  1
  H  H101  1  0.798481  0.469533  0.333799  1
  H  H102  1  0.672629  0.801443  0.353438  1
  H  H103  1  0.069123  0.800840  0.343032  1
  H  H104  1  0.402456  0.467506  0.343032  1
  H  H105  1  0.735790  0.134173  0.343032  1
  H  H106  1  0.131814  0.136200  0.333799  1
  H  H107  1  0.005962  0.468110  0.353438  1
  H  H108  1  0.339295  0.134776  0.353438  1
  H  H109  1  0.202158  0.881082  0.388039  1
  H  H110  1  0.535491  0.547749  0.388039  1
  H  H111  1  0.598480  0.882117  0.378125  1
  H  H112  1  0.806528  0.879924  0.398073  1
  H  H113  1  0.139861  0.546590  0.398073  1
  H  H114  1  0.473194  0.213257  0.398073  1
  H  H115  1  0.868825  0.214415  0.388039  1
  H  H116  1  0.931813  0.548783  0.378125  1
  H  H117  1  0.265146  0.215450  0.378125  1
  H  H118  1  0.162267  0.714976  0.368335  1
  H  H119  1  0.495600  0.381643  0.368335  1
  H  H120  1  0.369463  0.714678  0.388376  1
  H  H121  1  0.765438  0.715564  0.378362  1
  H  H122  1  0.098772  0.382231  0.378362  1
  H  H123  1  0.432105  0.048898  0.378362  1
  H  H124  1  0.828933  0.048309  0.368335  1
  H  H125  1  0.702796  0.381344  0.388376  1
  H  H126  1  0.036129  0.048011  0.388376  1
  H  H127  1  0.047453  0.632503  0.373624  1
  H  H128  1  0.380786  0.299169  0.373624  1
  H  H129  1  0.443875  0.634025  0.363703  1
  H  H130  1  0.839694  0.635214  0.353705  1
  H  H131  1  0.173027  0.301881  0.353705  1
  H  H132  1  0.506360  0.968548  0.353705  1
  H  H133  1  0.714119  0.965836  0.373624  1
  H  H134  1  0.777208  0.300692  0.363703  1
  H  H135  1  0.110541  0.967358  0.363703  1
  H  H136  1  0.275668  0.800284  0.363499  1
  H  H137  1  0.609001  0.466951  0.363499  1
  H  H138  1  0.483822  0.798260  0.383293  1
  H  H139  1  0.879808  0.799566  0.373291  1
  H  H140  1  0.213142  0.466232  0.373291  1
  H  H141  1  0.546475  0.132899  0.373291  1
  H  H142  1  0.942335  0.133618  0.363499  1
  H  H143  1  0.817156  0.464927  0.383293  1
  H  H144  1  0.150489  0.131594  0.383293  1
  H  H145  1  0.014655  0.877277  0.418031  1
  H  H146  1  0.347989  0.543944  0.418031  1
  H  H147  1  0.410238  0.879004  0.408111  1
  H  H148  1  0.618338  0.876683  0.428126  1
  H  H149  1  0.951671  0.543350  0.428126  1
  H  H150  1  0.285004  0.210017  0.428126  1
  H  H151  1  0.681322  0.210610  0.418031  1
  H  H152  1  0.743572  0.545670  0.408111  1
  H  H153  1  0.076905  0.212337  0.408111  1
  H  H154  1  0.973442  0.713150  0.398367  1
  H  H155  1  0.306776  0.379817  0.398367  1
  H  H156  1  0.181747  0.710587  0.418252  1
  H  H157  1  0.577526  0.712251  0.408259  1
  H  H158  1  0.910859  0.378918  0.408259  1
  H  H159  1  0.244193  0.045585  0.408259  1
  H  H160  1  0.640109  0.046484  0.398367  1
  H  H161  1  0.515081  0.377253  0.418252  1
  H  H162  1  0.848414  0.043920  0.418252  1
  H  H163  1  0.858915  0.629287  0.403345  1
  H  H164  1  0.192248  0.295953  0.403345  1
  H  H165  1  0.255658  0.629422  0.393310  1
  H  H166  1  0.651410  0.631433  0.383361  1
  H  H167  1  0.984743  0.298099  0.383361  1
  H  H168  1  0.318077  0.964766  0.383361  1
  H  H169  1  0.525582  0.962620  0.403345  1
  H  H170  1  0.588991  0.296088  0.393310  1
  H  H171  1  0.922324  0.962755  0.393310  1
  H  H172  1  0.088091  0.796262  0.393130  1
  H  H173  1  0.421424  0.462929  0.393130  1
  H  H174  1  0.295440  0.795216  0.413268  1
  H  H175  1  0.691742  0.796062  0.403223  1
  H  H176  1  0.025075  0.462729  0.403223  1
  H  H177  1  0.358408  0.129395  0.403223  1
  H  H178  1  0.754757  0.129596  0.393130  1
  H  H179  1  0.628774  0.461883  0.413268  1
  H  H180  1  0.962107  0.128549  0.413268  1
  H  H181  1  0.826220  0.874513  0.448093  1
  H  H182  1  0.159553  0.541179  0.448093  1
  H  H183  1  0.222048  0.875861  0.438086  1
  H  H184  1  0.429992  0.873603  0.458088  1
  H  H185  1  0.763326  0.540270  0.458088  1
  H  H186  1  0.096659  0.206936  0.458088  1
  H  H187  1  0.492886  0.207846  0.448093  1
  H  H188  1  0.555381  0.542527  0.438086  1
  H  H189  1  0.888715  0.209194  0.438086  1
  H  H190  1  0.785396  0.710024  0.428265  1
  H  H191  1  0.118730  0.376691  0.428265  1
  H  H192  1  0.993200  0.707838  0.448231  1
  H  H193  1  0.389218  0.709119  0.438228  1
  H  H194  1  0.722551  0.375785  0.438228  1
  H  H195  1  0.055884  0.042452  0.438228  1
  H  H196  1  0.452063  0.043358  0.428265  1
  H  H197  1  0.326533  0.374505  0.448231  1
  H  H198  1  0.659867  0.041172  0.448231  1
  H  H199  1  0.670461  0.626286  0.433222  1
  H  H200  1  0.003794  0.292953  0.433222  1
  H  H201  1  0.066707  0.627077  0.423321  1
  H  H202  1  0.462704  0.628361  0.413302  1
  H  H203  1  0.796038  0.295028  0.413302  1
  H  H204  1  0.129371  0.961695  0.413302  1
  H  H205  1  0.337128  0.959619  0.433222  1
  H  H206  1  0.400041  0.293744  0.423321  1
  H  H207  1  0.733374  0.960411  0.423321  1
  H  H208  1  0.899629  0.793851  0.423173  1
  H  H209  1  0.232962  0.460518  0.423173  1
  H  H210  1  0.107610  0.791544  0.443135  1
  H  H211  1  0.503528  0.792958  0.433170  1
  H  H212  1  0.836862  0.459625  0.433170  1
  H  H213  1  0.170195  0.126292  0.433170  1
  H  H214  1  0.566296  0.127184  0.423173  1
  H  H215  1  0.440943  0.458210  0.443135  1
  H  H216  1  0.774277  0.124877  0.443135  1
  H  H217  1  0.637941  0.871328  0.478080  1
  H  H218  1  0.971274  0.537994  0.478080  1
  H  H219  1  0.034054  0.872363  0.468057  1
  H  H220  1  0.241736  0.870459  0.488038  1
  H  H221  1  0.575069  0.537125  0.488038  1
  H  H222  1  0.908403  0.203792  0.488038  1
  H  H223  1  0.304608  0.204661  0.478080  1
  H  H224  1  0.367387  0.539029  0.468057  1
  H  H225  1  0.700720  0.205696  0.468057  1
  H  H226  1  0.597023  0.706957  0.458188  1
  H  H227  1  0.930356  0.373624  0.458188  1
  H  H228  1  0.804872  0.704612  0.478147  1
  H  H229  1  0.201033  0.705651  0.468160  1
  H  H230  1  0.534366  0.372318  0.468160  1
  H  H231  1  0.867700  0.038984  0.468160  1
  H  H232  1  0.263689  0.040290  0.458188  1
  H  H233  1  0.138205  0.371279  0.478147  1
  H  H234  1  0.471538  0.037945  0.478147  1
  H  H235  1  0.482130  0.623113  0.463163  1
  H  H236  1  0.815464  0.289779  0.463163  1
  H  H237  1  0.878319  0.623935  0.453199  1
  H  H238  1  0.274614  0.624782  0.443197  1
  H  H239  1  0.607948  0.291449  0.443197  1
  H  H240  1  0.941281  0.958115  0.443197  1
  H  H241  1  0.148797  0.956446  0.463163  1
  H  H242  1  0.211652  0.290602  0.453199  1
  H  H243  1  0.544985  0.957269  0.453199  1
  H  H244  1  0.711474  0.790686  0.453136  1
  H  H245  1  0.044808  0.457352  0.453136  1
  H  H246  1  0.919237  0.788570  0.473096  1
  H  H247  1  0.315245  0.789792  0.463120  1
  H  H248  1  0.648578  0.456458  0.463120  1
  H  H249  1  0.981911  0.123125  0.463120  1
  H  H250  1  0.378141  0.124019  0.453136  1
  H  H251  1  0.252570  0.455237  0.473096  1
  H  H252  1  0.585903  0.121904  0.473096  1
  H  H253  1  0.449635  0.868218  0.508036  1
  H  H254  1  0.782968  0.534885  0.508036  1
  H  H255  1  0.845692  0.869310  0.498044  1
  H  H256  1  0.053516  0.867229  0.517987  1
  H  H257  1  0.386849  0.533895  0.517987  1
  H  H258  1  0.720183  0.200562  0.517987  1
  H  H259  1  0.116302  0.201551  0.508036  1
  H  H260  1  0.179025  0.535976  0.498044  1
  H  H261  1  0.512358  0.202643  0.498044  1
  H  H262  1  0.408646  0.703781  0.488119  1
  H  H263  1  0.741979  0.370447  0.488119  1
  H  H264  1  0.616505  0.701474  0.508078  1
  H  H265  1  0.012590  0.702611  0.498112  1
  H  H266  1  0.345923  0.369278  0.498112  1
  H  H267  1  0.679257  0.035945  0.498112  1
  H  H268  1  0.075313  0.037114  0.488119  1
  H  H269  1  0.949838  0.368141  0.508078  1
  H  H270  1  0.283172  0.034807  0.508078  1
  H  H271  1  0.293943  0.619761  0.493116  1
  H  H272  1  0.627276  0.286427  0.493116  1
  H  H273  1  0.689999  0.620852  0.483124  1
  H  H274  1  0.086118  0.621842  0.473173  1
  H  H275  1  0.419452  0.288508  0.473173  1
  H  H276  1  0.752785  0.955175  0.473173  1
  H  H277  1  0.960609  0.953094  0.493116  1
  H  H278  1  0.023332  0.287519  0.483124  1
  H  H279  1  0.356666  0.954186  0.483124  1
  H  H280  1  0.523129  0.787596  0.483082  1
  H  H281  1  0.856463  0.454263  0.483082  1
  H  H282  1  0.730988  0.785290  0.503041  1
  H  H283  1  0.127044  0.786459  0.493048  1
  H  H284  1  0.460377  0.453126  0.493048  1
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  H  H540  1  0.083136  0.099940  0.712833  1
