# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   32.60993941
_cell_length_b   16.69626748
_cell_length_c   49.86704104
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.77787892
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H1008
_cell_volume   24846.1355363
_cell_formula_units_Z   504
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  0.529158  0.111679  0.286316  1
  H  H2  1  0.371223  0.987308  0.308539  1
  H  H3  1  0.195825  0.111679  0.286316  1
  H  H4  1  0.213287  0.862936  0.330761  1
  H  H5  1  0.037889  0.987308  0.308539  1
  H  H6  1  0.029158  0.611679  0.286316  1
  H  H7  1  0.862491  0.111679  0.286316  1
  H  H8  1  0.879954  0.862936  0.330761  1
  H  H9  1  0.871223  0.487308  0.308539  1
  H  H10  1  0.704556  0.987308  0.308539  1
  H  H11  1  0.695825  0.611679  0.286316  1
  H  H12  1  0.713287  0.362936  0.330761  1
  H  H13  1  0.546620  0.862936  0.330761  1
  H  H14  1  0.537889  0.487308  0.308539  1
  H  H15  1  0.362491  0.611679  0.286316  1
  H  H16  1  0.379954  0.362936  0.330761  1
  H  H17  1  0.204556  0.487308  0.308539  1
  H  H18  1  0.046620  0.362936  0.330761  1
  H  H19  1  0.537283  0.317705  0.306996  1
  H  H20  1  0.379348  0.193333  0.329218  1
  H  H21  1  0.203950  0.317705  0.306996  1
  H  H22  1  0.195219  0.942076  0.284774  1
  H  H23  1  0.046014  0.193333  0.329218  1
  H  H24  1  0.037283  0.817705  0.306996  1
  H  H25  1  0.870616  0.317705  0.306996  1
  H  H26  1  0.861885  0.942076  0.284774  1
  H  H27  1  0.879348  0.693333  0.329218  1
  H  H28  1  0.712681  0.193333  0.329218  1
  H  H29  1  0.703950  0.817705  0.306996  1
  H  H30  1  0.695219  0.442076  0.284774  1
  H  H31  1  0.528552  0.942076  0.284774  1
  H  H32  1  0.546014  0.693333  0.329218  1
  H  H33  1  0.370616  0.817705  0.306996  1
  H  H34  1  0.361885  0.442076  0.284774  1
  H  H35  1  0.212681  0.693333  0.329218  1
  H  H36  1  0.028552  0.442076  0.284774  1
  H  H37  1  0.523053  0.948636  0.270779  1
  H  H38  1  0.365118  0.824265  0.293001  1
  H  H39  1  0.189720  0.948636  0.270779  1
  H  H40  1  0.207182  0.699894  0.315224  1
  H  H41  1  0.031785  0.824265  0.293001  1
  H  H42  1  0.023053  0.448636  0.270779  1
  H  H43  1  0.856387  0.948636  0.270779  1
  H  H44  1  0.873849  0.699894  0.315224  1
  H  H45  1  0.865118  0.324265  0.293001  1
  H  H46  1  0.698451  0.824265  0.293001  1
  H  H47  1  0.689720  0.448636  0.270779  1
  H  H48  1  0.707182  0.199894  0.315224  1
  H  H49  1  0.540516  0.699894  0.315224  1
  H  H50  1  0.531785  0.324265  0.293001  1
  H  H51  1  0.356387  0.448636  0.270779  1
  H  H52  1  0.373849  0.199894  0.315224  1
  H  H53  1  0.198451  0.324265  0.293001  1
  H  H54  1  0.040516  0.199894  0.315224  1
  H  H55  1  0.531178  0.154662  0.291459  1
  H  H56  1  0.373243  0.030291  0.313681  1
  H  H57  1  0.197845  0.154662  0.291459  1
  H  H58  1  0.189114  0.779034  0.269236  1
  H  H59  1  0.039910  0.030291  0.313681  1
  H  H60  1  0.031178  0.654662  0.291459  1
  H  H61  1  0.864512  0.154662  0.291459  1
  H  H62  1  0.855781  0.779034  0.269236  1
  H  H63  1  0.873243  0.530291  0.313681  1
  H  H64  1  0.706576  0.030291  0.313681  1
  H  H65  1  0.697845  0.654662  0.291459  1
  H  H66  1  0.689114  0.279034  0.269236  1
  H  H67  1  0.522447  0.779034  0.269236  1
  H  H68  1  0.539910  0.530291  0.313681  1
  H  H69  1  0.364512  0.654662  0.291459  1
  H  H70  1  0.355781  0.279034  0.269236  1
  H  H71  1  0.206576  0.530291  0.313681  1
  H  H72  1  0.022447  0.279034  0.269236  1
  H  H73  1  0.625588  0.425122  0.319650  1
  H  H74  1  0.441459  0.173865  0.275205  1
  H  H75  1  0.292255  0.425122  0.319650  1
  H  H76  1  0.283524  0.049493  0.297427  1
  H  H77  1  0.108126  0.173865  0.275205  1
  H  H78  1  0.125588  0.925122  0.319650  1
  H  H79  1  0.958922  0.425122  0.319650  1
  H  H80  1  0.950190  0.049493  0.297427  1
  H  H81  1  0.941459  0.673865  0.275205  1
  H  H82  1  0.774792  0.173865  0.275205  1
  H  H83  1  0.792255  0.925122  0.319650  1
  H  H84  1  0.783524  0.549493  0.297427  1
  H  H85  1  0.616857  0.049493  0.297427  1
  H  H86  1  0.608126  0.673865  0.275205  1
  H  H87  1  0.458922  0.925122  0.319650  1
  H  H88  1  0.450190  0.549493  0.297427  1
  H  H89  1  0.274792  0.673865  0.275205  1
  H  H90  1  0.116857  0.549493  0.297427  1
  H  H91  1  0.624982  0.255519  0.318107  1
  H  H92  1  0.440853  0.004262  0.273663  1
  H  H93  1  0.291649  0.255519  0.318107  1
  H  H94  1  0.282917  0.879890  0.295885  1
  H  H95  1  0.107520  0.004262  0.273663  1
  H  H96  1  0.124982  0.755519  0.318107  1
  H  H97  1  0.958315  0.255519  0.318107  1
  H  H98  1  0.949584  0.879890  0.295885  1
  H  H99  1  0.940853  0.504262  0.273663  1
  H  H100  1  0.774186  0.004262  0.273663  1
  H  H101  1  0.791649  0.755519  0.318107  1
  H  H102  1  0.782917  0.379890  0.295885  1
  H  H103  1  0.616251  0.879890  0.295885  1
  H  H104  1  0.607520  0.504262  0.273663  1
  H  H105  1  0.458315  0.755519  0.318107  1
  H  H106  1  0.449584  0.379890  0.295885  1
  H  H107  1  0.274186  0.504262  0.273663  1
  H  H108  1  0.116251  0.379890  0.295885  1
  H  H109  1  0.619484  0.262079  0.304112  1
  H  H110  1  0.461548  0.137708  0.326335  1
  H  H111  1  0.286150  0.262079  0.304112  1
  H  H112  1  0.277419  0.886451  0.281890  1
  H  H113  1  0.128215  0.137708  0.326335  1
  H  H114  1  0.119484  0.762079  0.304112  1
  H  H115  1  0.952817  0.262079  0.304112  1
  H  H116  1  0.944086  0.886451  0.281890  1
  H  H117  1  0.961548  0.637708  0.326335  1
  H  H118  1  0.794881  0.137708  0.326335  1
  H  H119  1  0.786150  0.762079  0.304112  1
  H  H120  1  0.777419  0.386451  0.281890  1
  H  H121  1  0.610752  0.886451  0.281890  1
  H  H122  1  0.628215  0.637708  0.326335  1
  H  H123  1  0.452817  0.762079  0.304112  1
  H  H124  1  0.444086  0.386451  0.281890  1
  H  H125  1  0.294881  0.637708  0.326335  1
  H  H126  1  0.110752  0.386451  0.281890  1
  H  H127  1  0.618877  0.092476  0.302570  1
  H  H128  1  0.460942  0.968105  0.324792  1
  H  H129  1  0.285544  0.092476  0.302570  1
  H  H130  1  0.276813  0.716848  0.280348  1
  H  H131  1  0.127609  0.968105  0.324792  1
  H  H132  1  0.118877  0.592476  0.302570  1
  H  H133  1  0.952211  0.092476  0.302570  1
  H  H134  1  0.943479  0.716848  0.280348  1
  H  H135  1  0.960942  0.468105  0.324792  1
  H  H136  1  0.794275  0.968105  0.324792  1
  H  H137  1  0.785544  0.592476  0.302570  1
  H  H138  1  0.776813  0.216848  0.280348  1
  H  H139  1  0.610146  0.716848  0.280348  1
  H  H140  1  0.627609  0.468105  0.324792  1
  H  H141  1  0.452211  0.592476  0.302570  1
  H  H142  1  0.443479  0.216848  0.280348  1
  H  H143  1  0.294275  0.468105  0.324792  1
  H  H144  1  0.110146  0.216848  0.280348  1
  H  H145  1  0.555352  0.238565  0.352983  1
  H  H146  1  0.397416  0.114194  0.375205  1
  H  H147  1  0.222018  0.238565  0.352983  1
  H  H148  1  0.239481  0.989822  0.397427  1
  H  H149  1  0.064083  0.114194  0.375205  1
  H  H150  1  0.055352  0.738565  0.352983  1
  H  H151  1  0.888685  0.238565  0.352983  1
  H  H152  1  0.906147  0.989822  0.397427  1
  H  H153  1  0.897416  0.614194  0.375205  1
  H  H154  1  0.730750  0.114194  0.375205  1
  H  H155  1  0.722018  0.738565  0.352983  1
  H  H156  1  0.739481  0.489822  0.397427  1
  H  H157  1  0.572814  0.989822  0.397427  1
  H  H158  1  0.564083  0.614194  0.375205  1
  H  H159  1  0.388685  0.738565  0.352983  1
  H  H160  1  0.406147  0.489822  0.397427  1
  H  H161  1  0.230750  0.614194  0.375205  1
  H  H162  1  0.072814  0.489822  0.397427  1
  H  H163  1  0.563477  0.444591  0.373663  1
  H  H164  1  0.405541  0.320219  0.395885  1
  H  H165  1  0.230143  0.444591  0.373663  1
  H  H166  1  0.221412  0.068962  0.351440  1
  H  H167  1  0.072208  0.320219  0.395885  1
  H  H168  1  0.063477  0.944591  0.373663  1
  H  H169  1  0.896810  0.444591  0.373663  1
  H  H170  1  0.888079  0.068962  0.351440  1
  H  H171  1  0.905541  0.820219  0.395885  1
  H  H172  1  0.738875  0.320219  0.395885  1
  H  H173  1  0.730143  0.944591  0.373663  1
  H  H174  1  0.721412  0.568962  0.351440  1
  H  H175  1  0.554746  0.068962  0.351440  1
  H  H176  1  0.572208  0.820219  0.395885  1
  H  H177  1  0.396810  0.944591  0.373663  1
  H  H178  1  0.388079  0.568962  0.351440  1
  H  H179  1  0.238875  0.820219  0.395885  1
  H  H180  1  0.054746  0.568962  0.351440  1
  H  H181  1  0.549247  0.075522  0.337446  1
  H  H182  1  0.391312  0.951151  0.359668  1
  H  H183  1  0.215914  0.075522  0.337446  1
  H  H184  1  0.233376  0.826780  0.381890  1
  H  H185  1  0.057978  0.951151  0.359668  1
  H  H186  1  0.049247  0.575522  0.337446  1
  H  H187  1  0.882580  0.075522  0.337446  1
  H  H188  1  0.900043  0.826780  0.381890  1
  H  H189  1  0.891312  0.451151  0.359668  1
  H  H190  1  0.724645  0.951151  0.359668  1
  H  H191  1  0.715914  0.575522  0.337446  1
  H  H192  1  0.733376  0.326780  0.381890  1
  H  H193  1  0.566709  0.826780  0.381890  1
  H  H194  1  0.557978  0.451151  0.359668  1
  H  H195  1  0.382580  0.575522  0.337446  1
  H  H196  1  0.400043  0.326780  0.381890  1
  H  H197  1  0.224645  0.451151  0.359668  1
  H  H198  1  0.066709  0.326780  0.381890  1
  H  H199  1  0.557372  0.281548  0.358125  1
  H  H200  1  0.399437  0.157177  0.380348  1
  H  H201  1  0.224039  0.281548  0.358125  1
  H  H202  1  0.215308  0.905919  0.335903  1
  H  H203  1  0.066103  0.157177  0.380348  1
  H  H204  1  0.057372  0.781548  0.358125  1
  H  H205  1  0.890705  0.281548  0.358125  1
  H  H206  1  0.881974  0.905919  0.335903  1
  H  H207  1  0.899437  0.657177  0.380348  1
  H  H208  1  0.732770  0.157177  0.380348  1
  H  H209  1  0.724039  0.781548  0.358125  1
  H  H210  1  0.715308  0.405919  0.335903  1
  H  H211  1  0.548641  0.905919  0.335903  1
  H  H212  1  0.566103  0.657177  0.380348  1
  H  H213  1  0.390705  0.781548  0.358125  1
  H  H214  1  0.381974  0.405919  0.335903  1
  H  H215  1  0.232770  0.657177  0.380348  1
  H  H216  1  0.048641  0.405919  0.335903  1
  H  H217  1  0.651782  0.552008  0.386316  1
  H  H218  1  0.467653  0.300751  0.341872  1
  H  H219  1  0.318449  0.552008  0.386316  1
  H  H220  1  0.309717  0.176379  0.364094  1
  H  H221  1  0.134319  0.300751  0.341872  1
  H  H222  1  0.151782  0.052008  0.386316  1
  H  H223  1  0.985115  0.552008  0.386316  1
  H  H224  1  0.976384  0.176379  0.364094  1
  H  H225  1  0.967653  0.800751  0.341872  1
  H  H226  1  0.800986  0.300751  0.341872  1
  H  H227  1  0.818449  0.052008  0.386316  1
  H  H228  1  0.809717  0.676379  0.364094  1
  H  H229  1  0.643051  0.176379  0.364094  1
  H  H230  1  0.634319  0.800751  0.341872  1
  H  H231  1  0.485115  0.052008  0.386316  1
  H  H232  1  0.476384  0.676379  0.364094  1
  H  H233  1  0.300986  0.800751  0.341872  1
  H  H234  1  0.143051  0.676379  0.364094  1
  H  H235  1  0.651176  0.382405  0.384774  1
  H  H236  1  0.467047  0.131148  0.340329  1
  H  H237  1  0.317842  0.382405  0.384774  1
  H  H238  1  0.309111  0.006776  0.362551  1
  H  H239  1  0.133713  0.131148  0.340329  1
  H  H240  1  0.151176  0.882405  0.384774  1
  H  H241  1  0.984509  0.382405  0.384774  1
  H  H242  1  0.975778  0.006776  0.362551  1
  H  H243  1  0.967047  0.631148  0.340329  1
  H  H244  1  0.800380  0.131148  0.340329  1
  H  H245  1  0.817842  0.882405  0.384774  1
  H  H246  1  0.809111  0.506776  0.362551  1
  H  H247  1  0.642444  0.006776  0.362551  1
  H  H248  1  0.633713  0.631148  0.340329  1
  H  H249  1  0.484509  0.882405  0.384774  1
  H  H250  1  0.475778  0.506776  0.362551  1
  H  H251  1  0.300380  0.631148  0.340329  1
  H  H252  1  0.142444  0.506776  0.362551  1
  H  H253  1  0.645677  0.388965  0.370779  1
  H  H254  1  0.487742  0.264594  0.393001  1
  H  H255  1  0.312344  0.388965  0.370779  1
  H  H256  1  0.303613  0.013337  0.348557  1
  H  H257  1  0.154408  0.264594  0.393001  1
  H  H258  1  0.145677  0.888965  0.370779  1
  H  H259  1  0.979011  0.388965  0.370779  1
  H  H260  1  0.970279  0.013337  0.348557  1
  H  H261  1  0.987742  0.764594  0.393001  1
  H  H262  1  0.821075  0.264594  0.393001  1
  H  H263  1  0.812344  0.888965  0.370779  1
  H  H264  1  0.803613  0.513337  0.348557  1
  H  H265  1  0.636946  0.013337  0.348557  1
  H  H266  1  0.654408  0.764594  0.393001  1
  H  H267  1  0.479011  0.888965  0.370779  1
  H  H268  1  0.470279  0.513337  0.348557  1
  H  H269  1  0.321075  0.764594  0.393001  1
  H  H270  1  0.136946  0.513337  0.348557  1
  H  H271  1  0.645071  0.219362  0.369236  1
  H  H272  1  0.487136  0.094991  0.391459  1
  H  H273  1  0.311738  0.219362  0.369236  1
  H  H274  1  0.303006  0.843734  0.347014  1
  H  H275  1  0.153802  0.094991  0.391459  1
  H  H276  1  0.145071  0.719362  0.369236  1
  H  H277  1  0.978404  0.219362  0.369236  1
  H  H278  1  0.969673  0.843734  0.347014  1
  H  H279  1  0.987136  0.594991  0.391459  1
  H  H280  1  0.820469  0.094991  0.391459  1
  H  H281  1  0.811738  0.719362  0.369236  1
  H  H282  1  0.803006  0.343734  0.347014  1
  H  H283  1  0.636340  0.843734  0.347014  1
  H  H284  1  0.653802  0.594991  0.391459  1
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  H  H1008  1  0.267308  0.978164  0.680348  1
