# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95489770
_cell_length_b   24.35426186
_cell_length_c   46.05755996
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.06078729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H432
_cell_volume   8811.64912723
_cell_formula_units_Z   216
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  0.775175  0.800737  0.297658  1
  H  H2  1  0.275175  0.800737  0.297658  1
  H  H3  1  0.203771  0.131429  0.288365  1
  H  H4  1  0.462241  0.463560  0.285026  1
  H  H5  1  0.703771  0.131429  0.288365  1
  H  H6  1  0.962241  0.463560  0.285026  1
  H  H7  1  0.424271  0.631836  0.288175  1
  H  H8  1  0.924271  0.631836  0.288175  1
  H  H9  1  0.995081  0.962595  0.284780  1
  H  H10  1  0.024072  0.301290  0.297537  1
  H  H11  1  0.495081  0.962595  0.284780  1
  H  H12  1  0.524072  0.301290  0.297537  1
  H  H13  1  0.307461  0.537741  0.274367  1
  H  H14  1  0.807461  0.537741  0.274367  1
  H  H15  1  0.900183  0.869744  0.267514  1
  H  H16  1  0.040329  0.207538  0.279386  1
  H  H17  1  0.400183  0.869744  0.267514  1
  H  H18  1  0.540329  0.207538  0.279386  1
  H  H19  1  0.667166  0.707300  0.279379  1
  H  H20  1  0.167166  0.707300  0.279379  1
  H  H21  1  0.222191  0.036361  0.274028  1
  H  H22  1  0.468085  0.370873  0.267500  1
  H  H23  1  0.722191  0.036361  0.274028  1
  H  H24  1  0.968085  0.370873  0.267500  1
  H  H25  1  0.533463  0.814612  0.322476  1
  H  H26  1  0.033463  0.814612  0.322476  1
  H  H27  1  0.951731  0.143198  0.315344  1
  H  H28  1  0.214492  0.474708  0.311240  1
  H  H29  1  0.451731  0.143198  0.315344  1
  H  H30  1  0.714492  0.474708  0.311240  1
  H  H31  1  0.188169  0.642773  0.315204  1
  H  H32  1  0.688169  0.642773  0.315204  1
  H  H33  1  0.754484  0.974030  0.311088  1
  H  H34  1  0.779809  0.315034  0.322392  1
  H  H35  1  0.254484  0.974030  0.311088  1
  H  H36  1  0.279809  0.315034  0.322392  1
  H  H37  1  0.072171  0.554999  0.299653  1
  H  H38  1  0.572171  0.554999  0.299653  1
  H  H39  1  0.653056  0.885965  0.292144  1
  H  H40  1  0.799856  0.225035  0.304454  1
  H  H41  1  0.153056  0.885965  0.292144  1
  H  H42  1  0.299856  0.225035  0.304454  1
  H  H43  1  0.424907  0.724852  0.304582  1
  H  H44  1  0.924907  0.724852  0.304582  1
  H  H45  1  0.975083  0.054633  0.299195  1
  H  H46  1  0.230430  0.386573  0.292168  1
  H  H47  1  0.475083  0.054633  0.299195  1
  H  H48  1  0.730430  0.386573  0.292168  1
  H  H49  1  0.283803  0.824638  0.348099  1
  H  H50  1  0.783803  0.824638  0.348099  1
  H  H51  1  0.706783  0.155514  0.339721  1
  H  H52  1  0.972919  0.486052  0.335571  1
  H  H53  1  0.206783  0.155514  0.339721  1
  H  H54  1  0.472919  0.486052  0.335571  1
  H  H55  1  0.946812  0.654871  0.339509  1
  H  H56  1  0.446812  0.654871  0.339509  1
  H  H57  1  0.507494  0.985639  0.335351  1
  H  H58  1  0.539650  0.325022  0.348052  1
  H  H59  1  0.007494  0.985639  0.335351  1
  H  H60  1  0.039650  0.325022  0.348052  1
  H  H61  1  0.831843  0.564576  0.325006  1
  H  H62  1  0.331843  0.564576  0.325006  1
  H  H63  1  0.397958  0.893629  0.317996  1
  H  H64  1  0.560773  0.233666  0.330480  1
  H  H65  1  0.897958  0.893629  0.317996  1
  H  H66  1  0.060773  0.233666  0.330480  1
  H  H67  1  0.172528  0.733185  0.330658  1
  H  H68  1  0.672528  0.733185  0.330658  1
  H  H69  1  0.725460  0.064220  0.324739  1
  H  H70  1  0.992862  0.394151  0.318007  1
  H  H71  1  0.225460  0.064220  0.324739  1
  H  H72  1  0.492862  0.394151  0.318007  1
  H  H73  1  0.034691  0.836443  0.372893  1
  H  H74  1  0.534691  0.836443  0.372893  1
  H  H75  1  0.462157  0.166273  0.365225  1
  H  H76  1  0.732546  0.496909  0.360717  1
  H  H77  1  0.962157  0.166273  0.365225  1
  H  H78  1  0.232546  0.496909  0.360717  1
  H  H79  1  0.704065  0.665448  0.365041  1
  H  H80  1  0.204065  0.665448  0.365041  1
  H  H81  1  0.258835  0.996726  0.360578  1
  H  H82  1  0.300656  0.336718  0.372875  1
  H  H83  1  0.758835  0.996726  0.360578  1
  H  H84  1  0.800656  0.336718  0.372875  1
  H  H85  1  0.591162  0.575164  0.349799  1
  H  H86  1  0.091162  0.575164  0.349799  1
  H  H87  1  0.147257  0.904973  0.342464  1
  H  H88  1  0.321991  0.245880  0.354761  1
  H  H89  1  0.647257  0.904973  0.342464  1
  H  H90  1  0.821991  0.245880  0.354761  1
  H  H91  1  0.923900  0.745476  0.354917  1
  H  H92  1  0.423900  0.745476  0.354917  1
  H  H93  1  0.476989  0.075132  0.349576  1
  H  H94  1  0.754628  0.405339  0.342487  1
  H  H95  1  0.976989  0.075132  0.349576  1
  H  H96  1  0.254628  0.405339  0.342487  1
  H  H97  1  0.785118  0.847746  0.397900  1
  H  H98  1  0.285118  0.847746  0.397900  1
  H  H99  1  0.220846  0.177895  0.390024  1
  H  H100  1  0.492331  0.507755  0.385555  1
  H  H101  1  0.720846  0.177895  0.390024  1
  H  H102  1  0.992331  0.507755  0.385555  1
  H  H103  1  0.458947  0.677075  0.389765  1
  H  H104  1  0.958947  0.677075  0.389765  1
  H  H105  1  0.009715  1.007684  0.385435  1
  H  H106  1  0.061561  0.347852  0.397933  1
  H  H107  1  0.509715  1.007684  0.385435  1
  H  H108  1  0.561561  0.347852  0.397933  1
  H  H109  1  0.351566  0.586461  0.374443  1
  H  H110  1  0.851566  0.586461  0.374443  1
  H  H111  1  0.896820  0.916527  0.367110  1
  H  H112  1  0.083874  0.256672  0.379742  1
  H  H113  1  0.396820  0.916527  0.367110  1
  H  H114  1  0.583874  0.256672  0.379742  1
  H  H115  1  0.673626  0.756329  0.379876  1
  H  H116  1  0.173626  0.756329  0.379876  1
  H  H117  1  0.227442  0.086690  0.374307  1
  H  H118  1  0.516401  0.416707  0.367171  1
  H  H119  1  0.727442  0.086690  0.374307  1
  H  H120  1  0.016401  0.416707  0.367171  1
  H  H121  1  0.535024  0.858841  0.422871  1
  H  H122  1  0.035024  0.858841  0.422871  1
  H  H123  1  0.981265  0.188915  0.415168  1
  H  H124  1  0.252779  0.518847  0.410515  1
  H  H125  1  0.481265  0.188915  0.415168  1
  H  H126  1  0.752779  0.518847  0.410515  1
  H  H127  1  0.211555  0.688453  0.414934  1
  H  H128  1  0.711555  0.688453  0.414934  1
  H  H129  1  0.759640  0.018817  0.410456  1
  H  H130  1  0.822567  0.358808  0.422924  1
  H  H131  1  0.259640  0.018817  0.410456  1
  H  H132  1  0.322567  0.358808  0.422924  1
  H  H133  1  0.111317  0.597192  0.399411  1
  H  H134  1  0.611317  0.597192  0.399411  1
  H  H135  1  0.646445  0.927515  0.391936  1
  H  H136  1  0.845594  0.267715  0.404365  1
  H  H137  1  0.146445  0.927515  0.391936  1
  H  H138  1  0.345594  0.267715  0.404365  1
  H  H139  1  0.423718  0.767502  0.404455  1
  H  H140  1  0.923718  0.767502  0.404455  1
  H  H141  1  0.976985  0.097264  0.399329  1
  H  H142  1  0.277489  0.427587  0.392010  1
  H  H143  1  0.476985  0.097264  0.399329  1
  H  H144  1  0.777489  0.427587  0.392010  1
  H  H145  1  0.284562  0.869940  0.447836  1
  H  H146  1  0.784562  0.869940  0.447836  1
  H  H147  1  0.743074  0.200063  0.440141  1
  H  H148  1  0.013160  0.529810  0.435461  1
  H  H149  1  0.243074  0.200063  0.440141  1
  H  H150  1  0.513160  0.529810  0.435461  1
  H  H151  1  0.962469  0.699942  0.439899  1
  H  H152  1  0.462469  0.699942  0.439899  1
  H  H153  1  0.509245  0.029796  0.435458  1
  H  H154  1  0.583775  0.369844  0.447878  1
  H  H155  1  0.009245  0.029796  0.435458  1
  H  H156  1  0.083775  0.369844  0.447878  1
  H  H157  1  0.871792  0.608507  0.424213  1
  H  H158  1  0.371792  0.608507  0.424213  1
  H  H159  1  0.396186  0.938614  0.416848  1
  H  H160  1  0.607395  0.278624  0.429278  1
  H  H161  1  0.896186  0.938614  0.416848  1
  H  H162  1  0.107395  0.278624  0.429278  1
  H  H163  1  0.173488  0.778678  0.429307  1
  H  H164  1  0.673488  0.778678  0.429307  1
  H  H165  1  0.725794  0.108440  0.424223  1
  H  H166  1  0.038417  0.438601  0.416922  1
  H  H167  1  0.225794  0.108440  0.424223  1
  H  H168  1  0.538417  0.438601  0.416922  1
  H  H169  1  0.033906  0.880982  0.472779  1
  H  H170  1  0.533906  0.880982  0.472779  1
  H  H171  1  0.505973  0.211055  0.465226  1
  H  H172  1  0.774038  0.540905  0.460403  1
  H  H173  1  1.005973  0.211055  0.465226  1
  H  H174  1  0.274038  0.540905  0.460403  1
  H  H175  1  0.711717  0.711121  0.464979  1
  H  H176  1  0.211717  0.711121  0.464979  1
  H  H177  1  0.258577  0.041019  0.460429  1
  H  H178  1  0.345028  0.380918  0.472794  1
  H  H179  1  0.758577  0.041019  0.460429  1
  H  H180  1  0.845028  0.380918  0.472794  1
  H  H181  1  0.632891  0.619455  0.449183  1
  H  H182  1  0.132891  0.619455  0.449183  1
  H  H183  1  0.145806  0.949661  0.441771  1
  H  H184  1  0.369286  0.289518  0.454157  1
  H  H185  1  0.645806  0.949661  0.441771  1
  H  H186  1  0.869286  0.289518  0.454157  1
  H  H187  1  0.922642  0.789709  0.454135  1
  H  H188  1  0.422642  0.789709  0.454135  1
  H  H189  1  0.473433  0.119361  0.449265  1
  H  H190  1  0.799277  0.449613  0.441817  1
  H  H191  1  0.973433  0.119361  0.449265  1
  H  H192  1  0.299277  0.449613  0.441817  1
  H  H193  1  0.783183  0.892008  0.497731  1
  H  H194  1  0.283183  0.892008  0.497731  1
  H  H195  1  0.269431  0.222183  0.490258  1
  H  H196  1  0.535236  0.552024  0.485366  1
  H  H197  1  0.769431  0.222183  0.490258  1
  H  H198  1  0.035236  0.552024  0.485366  1
  H  H199  1  0.459866  0.722204  0.490016  1
  H  H200  1  0.959866  0.722204  0.490016  1
  H  H201  1  0.007619  0.052111  0.485405  1
  H  H202  1  0.106287  0.392010  0.497726  1
  H  H203  1  0.507619  0.052111  0.485405  1
  H  H204  1  0.606287  0.392010  0.497726  1
  H  H205  1  0.395109  0.630531  0.474110  1
  H  H206  1  0.895109  0.630531  0.474110  1
  H  H207  1  0.895185  0.960719  0.466733  1
  H  H208  1  0.131013  0.300577  0.479093  1
  H  H209  1  0.395185  0.960719  0.466733  1
  H  H210  1  0.631013  0.300577  0.479093  1
  H  H211  1  0.671365  0.800679  0.479058  1
  H  H212  1  0.171365  0.800679  0.479058  1
  H  H213  1  0.220591  0.130538  0.474286  1
  H  H214  1  0.560301  0.460675  0.466750  1
  H  H215  1  0.720591  0.130538  0.474286  1
  H  H216  1  0.060301  0.460675  0.466750  1
  H  H217  1  0.532540  0.903075  0.522658  1
  H  H218  1  0.032540  0.903075  0.522658  1
  H  H219  1  0.032615  0.233263  0.515281  1
  H  H220  1  0.296711  0.563217  0.510298  1
  H  H221  1  0.532615  0.233263  0.515281  1
  H  H222  1  0.796711  0.563217  0.510298  1
  H  H223  1  0.207133  0.733256  0.515105  1
  H  H224  1  0.707133  0.733256  0.515105  1
  H  H225  1  0.756359  0.063115  0.510334  1
  H  H226  1  0.867423  0.403118  0.522641  1
  H  H227  1  0.256359  0.063115  0.510334  1
  H  H228  1  0.367423  0.403118  0.522641  1
  H  H229  1  0.158293  0.641610  0.499133  1
  H  H230  1  0.658293  0.641610  0.499133  1
  H  H231  1  0.644541  0.971786  0.491660  1
  H  H232  1  0.892488  0.311770  0.504025  1
  H  H233  1  0.144541  0.971786  0.491660  1
  H  H234  1  0.392488  0.311770  0.504025  1
  H  H235  1  0.420105  0.811683  0.503986  1
  H  H236  1  0.920105  0.811683  0.503986  1
  H  H237  1  0.967858  0.141590  0.499375  1
  H  H238  1  0.321437  0.471783  0.491665  1
  H  H239  1  0.467858  0.141590  0.499375  1
  H  H240  1  0.821437  0.471783  0.491665  1
  H  H241  1  0.281918  0.914132  0.547620  1
  H  H242  1  0.781918  0.914132  0.547620  1
  H  H243  1  0.794833  0.244339  0.540209  1
  H  H244  1  0.058438  0.574276  0.535234  1
  H  H245  1  0.294833  0.244339  0.540209  1
  H  H246  1  0.558438  0.574276  0.535234  1
  H  H247  1  0.954291  0.744433  0.540126  1
  H  H248  1  0.454291  0.744433  0.540126  1
  H  H249  1  0.505082  0.074084  0.535256  1
  H  H250  1  0.628447  0.414181  0.547574  1
  H  H251  1  1.005082  0.074084  0.535256  1
  H  H252  1  0.128447  0.414181  0.547574  1
  H  H253  1  0.921751  0.652739  0.524166  1
  H  H254  1  0.421751  0.652739  0.524166  1
  H  H255  1  0.393819  0.982812  0.516612  1
  H  H256  1  0.653686  0.322889  0.528989  1
  H  H257  1  0.893819  0.982812  0.516612  1
  H  H258  1  0.153686  0.322889  0.528989  1
  H  H259  1  0.169147  0.822775  0.528962  1
  H  H260  1  0.669147  0.822775  0.528962  1
  H  H261  1  0.716007  0.152673  0.524413  1
  H  H262  1  0.082696  0.482876  0.516597  1
  H  H263  1  0.216007  0.152673  0.524413  1
  H  H264  1  0.582696  0.482876  0.516597  1
  H  H265  1  0.031538  0.925180  0.572543  1
  H  H266  1  0.531538  0.925180  0.572543  1
  H  H267  1  0.555932  0.255287  0.565178  1
  H  H268  1  0.820329  0.585170  0.560113  1
  H  H269  1  0.055932  0.255287  0.565178  1
  H  H270  1  0.320329  0.585170  0.560113  1
  H  H271  1  0.701930  0.755353  0.565168  1
  H  H272  1  0.201930  0.755353  0.565168  1
  H  H273  1  0.254236  0.085116  0.560084  1
  H  H274  1  0.389307  0.425193  0.572469  1
  H  H275  1  0.754236  0.085116  0.560084  1
  H  H276  1  0.889307  0.425193  0.572469  1
  H  H277  1  0.684650  0.663730  0.549250  1
  H  H278  1  0.184650  0.663730  0.549250  1
  H  H279  1  0.143162  0.993854  0.541555  1
  H  H280  1  0.414565  0.333984  0.553930  1
  H  H281  1  0.643162  0.993854  0.541555  1
  H  H282  1  0.914565  0.333984  0.553930  1
  H  H283  1  0.918479  0.833998  0.553933  1
  H  H284  1  0.418479  0.833998  0.553933  1
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  H  H349  1  0.965568  0.697520  0.624166  1
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  H  H361  1  0.029766  0.970165  0.671395  1
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  H  H367  1  0.702264  0.799574  0.664652  1
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  H  H393  1  1.002817  0.138941  0.684810  1
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  H  H431  1  0.503454  0.231958  0.701216  1
  H  H432  1  0.903653  0.562504  0.691854  1
