# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.53842238
_cell_length_b   12.38924037
_cell_length_c   46.56702960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.12181090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H468
_cell_volume   9221.62423024
_cell_formula_units_Z   234
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  0.175979  0.419054  0.295652  1
  H  H2  1  0.675979  0.419054  0.295652  1
  H  H3  1  0.893589  0.446175  0.273682  1
  H  H4  1  0.009312  0.085720  0.295652  1
  H  H5  1  0.036412  0.439737  0.283520  1
  H  H6  1  0.226922  0.112842  0.273682  1
  H  H7  1  0.393589  0.446175  0.273682  1
  H  H8  1  0.509312  0.085720  0.295652  1
  H  H9  1  0.536412  0.439737  0.283520  1
  H  H10  1  0.726922  0.112842  0.273682  1
  H  H11  1  0.842646  0.752387  0.295652  1
  H  H12  1  0.869746  0.106404  0.283520  1
  H  H13  1  0.060255  0.779508  0.273682  1
  H  H14  1  0.203079  0.773071  0.283520  1
  H  H15  1  0.342646  0.752387  0.295652  1
  H  H16  1  0.369746  0.106404  0.283520  1
  H  H17  1  0.560255  0.779508  0.273682  1
  H  H18  1  0.703079  0.773071  0.283520  1
  H  H19  1  0.150438  0.602983  0.281211  1
  H  H20  1  0.650438  0.602983  0.281211  1
  H  H21  1  0.789356  0.591599  0.293208  1
  H  H22  1  0.983772  0.269649  0.281211  1
  H  H23  1  0.929826  0.577455  0.304793  1
  H  H24  1  0.122689  0.258266  0.293208  1
  H  H25  1  0.289356  0.591599  0.293208  1
  H  H26  1  0.483772  0.269649  0.281211  1
  H  H27  1  0.429826  0.577455  0.304793  1
  H  H28  1  0.622689  0.258266  0.293208  1
  H  H29  1  0.817105  0.936316  0.281211  1
  H  H30  1  0.763159  0.244121  0.304793  1
  H  H31  1  0.956023  0.924933  0.293208  1
  H  H32  1  0.096493  0.910788  0.304793  1
  H  H33  1  0.317105  0.936316  0.281211  1
  H  H34  1  0.263159  0.244121  0.304793  1
  H  H35  1  0.456023  0.924933  0.293208  1
  H  H36  1  0.596493  0.910788  0.304793  1
  H  H37  1  0.085124  0.381920  0.331329  1
  H  H38  1  0.585124  0.381920  0.331329  1
  H  H39  1  0.811174  0.405305  0.308761  1
  H  H40  1  0.918457  0.048587  0.331329  1
  H  H41  1  0.949125  0.394350  0.320246  1
  H  H42  1  0.144507  0.071971  0.308761  1
  H  H43  1  0.311174  0.405305  0.308761  1
  H  H44  1  0.418457  0.048587  0.331329  1
  H  H45  1  0.449125  0.394350  0.320246  1
  H  H46  1  0.644507  0.071971  0.308761  1
  H  H47  1  0.751790  0.715254  0.331329  1
  H  H48  1  0.782458  0.061016  0.320246  1
  H  H49  1  0.977841  0.738638  0.308761  1
  H  H50  1  0.115791  0.727683  0.320246  1
  H  H51  1  0.251790  0.715254  0.331329  1
  H  H52  1  0.282458  0.061016  0.320246  1
  H  H53  1  0.477841  0.738638  0.308761  1
  H  H54  1  0.615791  0.727683  0.320246  1
  H  H55  1  0.066721  0.564536  0.317115  1
  H  H56  1  0.566721  0.564536  0.317115  1
  H  H57  1  0.703735  0.551309  0.328664  1
  H  H58  1  0.900054  0.231203  0.317115  1
  H  H59  1  0.841187  0.538706  0.339769  1
  H  H60  1  0.037068  0.217975  0.328664  1
  H  H61  1  0.203735  0.551309  0.328664  1
  H  H62  1  0.400054  0.231203  0.317115  1
  H  H63  1  0.341187  0.538706  0.339769  1
  H  H64  1  0.537068  0.217975  0.328664  1
  H  H65  1  0.733388  0.897870  0.317115  1
  H  H66  1  0.674520  0.205373  0.339769  1
  H  H67  1  0.870402  0.884642  0.328664  1
  H  H68  1  0.007854  0.872039  0.339769  1
  H  H69  1  0.233388  0.897870  0.317115  1
  H  H70  1  0.174520  0.205373  0.339769  1
  H  H71  1  0.370402  0.884642  0.328664  1
  H  H72  1  0.507854  0.872039  0.339769  1
  H  H73  1  0.995458  0.343168  0.366271  1
  H  H74  1  0.495458  0.343168  0.366271  1
  H  H75  1  0.721316  0.368350  0.343219  1
  H  H76  1  0.828791  0.009835  0.366271  1
  H  H77  1  0.858588  0.355970  0.354888  1
  H  H78  1  0.054650  0.035017  0.343219  1
  H  H79  1  0.221316  0.368350  0.343219  1
  H  H80  1  0.328791  0.009835  0.366271  1
  H  H81  1  0.358588  0.355970  0.354888  1
  H  H82  1  0.554650  0.035017  0.343219  1
  H  H83  1  0.662125  0.676501  0.366271  1
  H  H84  1  0.691921  0.022637  0.354888  1
  H  H85  1  0.887983  0.701683  0.343219  1
  H  H86  1  0.025254  0.689304  0.354888  1
  H  H87  1  0.162125  0.676501  0.366271  1
  H  H88  1  0.191921  0.022637  0.354888  1
  H  H89  1  0.387983  0.701683  0.343219  1
  H  H90  1  0.525254  0.689304  0.354888  1
  H  H91  1  0.978199  0.526374  0.351514  1
  H  H92  1  0.478199  0.526374  0.351514  1
  H  H93  1  0.615214  0.513264  0.363175  1
  H  H94  1  0.811533  0.193041  0.351514  1
  H  H95  1  0.752547  0.500401  0.374482  1
  H  H96  1  0.948547  0.179931  0.363175  1
  H  H97  1  0.115214  0.513264  0.363175  1
  H  H98  1  0.311533  0.193041  0.351514  1
  H  H99  1  0.252547  0.500401  0.374482  1
  H  H100  1  0.448547  0.179931  0.363175  1
  H  H101  1  0.644866  0.859708  0.351514  1
  H  H102  1  0.585880  0.167068  0.374482  1
  H  H103  1  0.781880  0.846598  0.363175  1
  H  H104  1  0.919214  0.833735  0.374482  1
  H  H105  1  0.144866  0.859708  0.351514  1
  H  H106  1  0.085880  0.167068  0.374482  1
  H  H107  1  0.281880  0.846598  0.363175  1
  H  H108  1  0.419214  0.833735  0.374482  1
  H  H109  1  0.905812  0.305095  0.400839  1
  H  H110  1  0.405812  0.305095  0.400839  1
  H  H111  1  0.631899  0.330275  0.377647  1
  H  H112  1  0.739145  0.971762  0.400839  1
  H  H113  1  0.768810  0.317688  0.389291  1
  H  H114  1  0.965233  0.996942  0.377647  1
  H  H115  1  0.131899  0.330275  0.377647  1
  H  H116  1  0.239145  0.971762  0.400839  1
  H  H117  1  0.268810  0.317688  0.389291  1
  H  H118  1  0.465233  0.996942  0.377647  1
  H  H119  1  0.572479  0.638429  0.400839  1
  H  H120  1  0.602144  0.984355  0.389291  1
  H  H121  1  0.798566  0.663608  0.377647  1
  H  H122  1  0.935477  0.651022  0.389291  1
  H  H123  1  0.072479  0.638429  0.400839  1
  H  H124  1  0.102144  0.984355  0.389291  1
  H  H125  1  0.298566  0.663608  0.377647  1
  H  H126  1  0.435477  0.651022  0.389291  1
  H  H127  1  0.889405  0.488264  0.385879  1
  H  H128  1  0.389405  0.488264  0.385879  1
  H  H129  1  0.526298  0.475533  0.397529  1
  H  H130  1  0.722738  0.154931  0.385879  1
  H  H131  1  0.663419  0.462691  0.408940  1
  H  H132  1  0.859632  0.142200  0.397529  1
  H  H133  1  0.026298  0.475533  0.397529  1
  H  H134  1  0.222738  0.154931  0.385879  1
  H  H135  1  0.163419  0.462691  0.408940  1
  H  H136  1  0.359632  0.142200  0.397529  1
  H  H137  1  0.556071  0.821598  0.385879  1
  H  H138  1  0.496753  0.129357  0.408940  1
  H  H139  1  0.692965  0.808867  0.397529  1
  H  H140  1  0.830086  0.796024  0.408940  1
  H  H141  1  0.056071  0.821598  0.385879  1
  H  H142  1  0.996753  0.129357  0.408940  1
  H  H143  1  0.192965  0.808867  0.397529  1
  H  H144  1  0.330086  0.796024  0.408940  1
  H  H145  1  0.816603  0.267076  0.435327  1
  H  H146  1  0.316603  0.267076  0.435327  1
  H  H147  1  0.542745  0.292280  0.412292  1
  H  H148  1  0.649936  0.933743  0.435327  1
  H  H149  1  0.679628  0.279675  0.423772  1
  H  H150  1  0.876078  0.958946  0.412292  1
  H  H151  1  0.042745  0.292280  0.412292  1
  H  H152  1  0.149936  0.933743  0.435327  1
  H  H153  1  0.179628  0.279675  0.423772  1
  H  H154  1  0.376078  0.958946  0.412292  1
  H  H155  1  0.483270  0.600409  0.435327  1
  H  H156  1  0.512961  0.946342  0.423772  1
  H  H157  1  0.709412  0.625613  0.412292  1
  H  H158  1  0.846295  0.613009  0.423772  1
  H  H159  1  0.983270  0.600409  0.435327  1
  H  H160  1  0.012961  0.946342  0.423772  1
  H  H161  1  0.209412  0.625613  0.412292  1
  H  H162  1  0.346295  0.613009  0.423772  1
  H  H163  1  0.800440  0.450142  0.420344  1
  H  H164  1  0.300440  0.450142  0.420344  1
  H  H165  1  0.437339  0.437558  0.431838  1
  H  H166  1  0.633773  0.116808  0.420344  1
  H  H167  1  0.574368  0.424857  0.443345  1
  H  H168  1  0.770672  0.104225  0.431838  1
  H  H169  1  0.937339  0.437558  0.431838  1
  H  H170  1  0.133773  0.116808  0.420344  1
  H  H171  1  0.074368  0.424857  0.443345  1
  H  H172  1  0.270672  0.104225  0.431838  1
  H  H173  1  0.467107  0.783475  0.420344  1
  H  H174  1  0.407702  0.091524  0.443345  1
  H  H175  1  0.604006  0.770891  0.431838  1
  H  H176  1  0.741035  0.758190  0.443345  1
  H  H177  1  0.967107  0.783475  0.420344  1
  H  H178  1  0.907702  0.091524  0.443345  1
  H  H179  1  0.104006  0.770891  0.431838  1
  H  H180  1  0.241035  0.758190  0.443345  1
  H  H181  1  0.727577  0.229064  0.469767  1
  H  H182  1  0.227577  0.229064  0.469767  1
  H  H183  1  0.453621  0.254354  0.446809  1
  H  H184  1  0.560910  0.895731  0.469767  1
  H  H185  1  0.590606  0.241687  0.458278  1
  H  H186  1  0.786954  0.921021  0.446809  1
  H  H187  1  0.953621  0.254354  0.446809  1
  H  H188  1  0.060910  0.895731  0.469767  1
  H  H189  1  0.090606  0.241687  0.458278  1
  H  H190  1  0.286954  0.921021  0.446809  1
  H  H191  1  0.394244  0.562398  0.469767  1
  H  H192  1  0.423939  0.908354  0.458278  1
  H  H193  1  0.620287  0.587687  0.446809  1
  H  H194  1  0.757272  0.575020  0.458278  1
  H  H195  1  0.894244  0.562398  0.469767  1
  H  H196  1  0.923939  0.908354  0.458278  1
  H  H197  1  0.120287  0.587687  0.446809  1
  H  H198  1  0.257272  0.575020  0.458278  1
  H  H199  1  0.711382  0.412239  0.454788  1
  H  H200  1  0.211382  0.412239  0.454788  1
  H  H201  1  0.348365  0.399622  0.466255  1
  H  H202  1  0.544715  0.078906  0.454788  1
  H  H203  1  0.485356  0.386973  0.477741  1
  H  H204  1  0.681698  0.066289  0.466255  1
  H  H205  1  0.848365  0.399622  0.466255  1
  H  H206  1  0.044715  0.078906  0.454788  1
  H  H207  1  0.985356  0.386973  0.477741  1
  H  H208  1  0.181698  0.066289  0.466255  1
  H  H209  1  0.378049  0.745572  0.454788  1
  H  H210  1  0.318690  0.053640  0.477741  1
  H  H211  1  0.515032  0.732956  0.466255  1
  H  H212  1  0.652023  0.720306  0.477741  1
  H  H213  1  0.878049  0.745572  0.454788  1
  H  H214  1  0.818690  0.053640  0.477741  1
  H  H215  1  0.015032  0.732956  0.466255  1
  H  H216  1  0.152023  0.720306  0.477741  1
  H  H217  1  0.638578  0.191128  0.504207  1
  H  H218  1  0.138578  0.191128  0.504207  1
  H  H219  1  0.364585  0.216410  0.481267  1
  H  H220  1  0.471912  0.857794  0.504207  1
  H  H221  1  0.501587  0.203761  0.492742  1
  H  H222  1  0.697919  0.883076  0.481267  1
  H  H223  1  0.864585  0.216410  0.481267  1
  H  H224  1  0.971912  0.857794  0.504207  1
  H  H225  1  1.001587  0.203761  0.492742  1
  H  H226  1  0.197919  0.883076  0.481267  1
  H  H227  1  0.305245  0.524461  0.504207  1
  H  H228  1  0.334920  0.870427  0.492742  1
  H  H229  1  0.531252  0.549743  0.481267  1
  H  H230  1  0.668253  0.537094  0.492742  1
  H  H231  1  0.805245  0.524461  0.504207  1
  H  H232  1  0.834920  0.870427  0.492742  1
  H  H233  1  0.031252  0.549743  0.481267  1
  H  H234  1  0.168253  0.537094  0.492742  1
  H  H235  1  0.622366  0.374326  0.489225  1
  H  H236  1  0.122366  0.374326  0.489225  1
  H  H237  1  0.259358  0.361693  0.500691  1
  H  H238  1  0.455700  0.040993  0.489225  1
  H  H239  1  0.396359  0.349044  0.512166  1
  H  H240  1  0.592691  0.028360  0.500691  1
  H  H241  1  0.759358  0.361693  0.500691  1
  H  H242  1  0.955700  0.040993  0.489225  1
  H  H243  1  0.896359  0.349044  0.512166  1
  H  H244  1  0.092691  0.028360  0.500691  1
  H  H245  1  0.289033  0.707659  0.489225  1
  H  H246  1  0.229692  0.015711  0.512166  1
  H  H247  1  0.426024  0.695027  0.500691  1
  H  H248  1  0.563026  0.682378  0.512166  1
  H  H249  1  0.789033  0.707659  0.489225  1
  H  H250  1  0.729692  0.015711  0.512166  1
  H  H251  1  0.926024  0.695027  0.500691  1
  H  H252  1  0.063026  0.682378  0.512166  1
  H  H253  1  0.549563  0.153215  0.538644  1
  H  H254  1  0.049563  0.153215  0.538644  1
  H  H255  1  0.275588  0.178481  0.515692  1
  H  H256  1  0.382896  0.819882  0.538644  1
  H  H257  1  0.412579  0.165831  0.527178  1
  H  H258  1  0.608921  0.845148  0.515692  1
  H  H259  1  0.775588  0.178481  0.515692  1
  H  H260  1  0.882896  0.819882  0.538644  1
  H  H261  1  0.912579  0.165831  0.527178  1
  H  H262  1  0.108921  0.845148  0.515692  1
  H  H263  1  0.216229  0.486548  0.538644  1
  H  H264  1  0.245913  0.832498  0.527178  1
  H  H265  1  0.442255  0.511814  0.515692  1
  H  H266  1  0.579246  0.499165  0.527178  1
  H  H267  1  0.716229  0.486548  0.538644  1
  H  H268  1  0.745913  0.832498  0.527178  1
  H  H269  1  0.942255  0.511814  0.515692  1
  H  H270  1  0.079246  0.499165  0.527178  1
  H  H271  1  0.533367  0.336389  0.523666  1
  H  H272  1  0.033367  0.336389  0.523666  1
  H  H273  1  0.170339  0.323767  0.535155  1
  H  H274  1  0.366701  0.003056  0.523666  1
  H  H275  1  0.307324  0.311100  0.546623  1
  H  H276  1  0.503672  0.990433  0.535155  1
  H  H277  1  0.670339  0.323767  0.535155  1
  H  H278  1  0.866701  0.003056  0.523666  1
  H  H279  1  0.807324  0.311100  0.546623  1
  H  H280  1  0.003672  0.990433  0.535155  1
  H  H281  1  0.200034  0.669723  0.523666  1
  H  H282  1  0.140657  0.977766  0.546623  1
  H  H283  1  0.337005  0.657100  0.535155  1
  H  H284  1  0.473990  0.644433  0.546623  1
  H  H285  1  0.700034  0.669723  0.523666  1
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  H  H345  1  0.992134  0.247766  0.604142  1
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  H  H347  1  0.129045  0.235179  0.615785  1
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  H  H361  1  0.282745  0.039079  0.641919  1
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  H  H363  1  0.008398  0.065053  0.618951  1
  H  H364  1  0.116078  0.705746  0.641919  1
  H  H365  1  0.145731  0.052190  0.630257  1
  H  H366  1  0.341731  0.731719  0.618951  1
  H  H367  1  0.508398  0.065053  0.618951  1
  H  H368  1  0.616078  0.705746  0.641919  1
  H  H369  1  0.645731  0.052190  0.630257  1
  H  H370  1  0.841731  0.731719  0.618951  1
  H  H371  1  0.949412  0.372413  0.641919  1
  H  H372  1  0.979064  0.718856  0.630257  1
  H  H373  1  0.175064  0.398386  0.618951  1
  H  H374  1  0.312398  0.385523  0.630257  1
  H  H375  1  0.449412  0.372413  0.641919  1
  H  H376  1  0.479064  0.718856  0.630257  1
  H  H377  1  0.675064  0.398386  0.618951  1
  H  H378  1  0.812398  0.385523  0.630257  1
  H  H379  1  0.265487  0.222286  0.627162  1
  H  H380  1  0.765487  0.222286  0.627162  1
  H  H381  1  0.902357  0.209483  0.638544  1
  H  H382  1  0.098820  0.888952  0.627162  1
  H  H383  1  0.039628  0.197104  0.650214  1
  H  H384  1  0.235690  0.876150  0.638544  1
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  H  H387  1  0.539628  0.197104  0.650214  1
  H  H388  1  0.735690  0.876150  0.638544  1
  H  H389  1  0.932153  0.555619  0.627162  1
  H  H390  1  0.872961  0.863770  0.650214  1
  H  H391  1  0.069023  0.542817  0.638544  1
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  H  H393  1  0.432153  0.555619  0.627162  1
  H  H394  1  0.372961  0.863770  0.650214  1
  H  H395  1  0.569023  0.542817  0.638544  1
  H  H396  1  0.706295  0.530437  0.650214  1
  H  H397  1  0.194223  1.000918  0.676317  1
  H  H398  1  0.694223  1.000918  0.676317  1
  H  H399  1  0.919757  0.026748  0.653663  1
  H  H400  1  0.027557  0.667584  0.676317  1
  H  H401  1  0.057209  0.014145  0.664769  1
  H  H402  1  0.253091  0.693414  0.653663  1
  H  H403  1  0.419757  0.026748  0.653663  1
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  H  H407  1  0.860890  0.334251  0.676317  1
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  H  H445  1  0.997785  0.321333  0.688640  1
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  H  H451  1  0.084965  0.146400  0.697781  1
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  H  H456  1  0.057866  0.792383  0.709913  1
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  H  H461  1  0.751632  0.479734  0.697781  1
  H  H462  1  0.700689  0.785945  0.719751  1
  H  H463  1  0.891199  0.459050  0.709913  1
  H  H464  1  0.034022  0.452612  0.719751  1
  H  H465  1  0.251632  0.479734  0.697781  1
  H  H466  1  0.200689  0.785945  0.719751  1
  H  H467  1  0.391199  0.459050  0.709913  1
  H  H468  1  0.534022  0.452612  0.719751  1
