# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.36637199
_cell_length_b   25.06821692
_cell_length_c   47.27292271
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.80933723
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   25032.3252742
_cell_formula_units_Z   126
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  0.967238  0.696069  0.335069  1
  H  H2  1  0.633904  0.529402  0.335069  1
  H  H3  1  0.748514  0.718319  0.293403  1
  H  H4  1  0.967238  0.196069  0.335069  1
  H  H5  1  0.081847  0.384986  0.293403  1
  H  H6  1  0.024543  0.540527  0.314236  1
  H  H7  1  0.300571  0.362735  0.335069  1
  H  H8  1  0.415181  0.551653  0.293403  1
  H  H9  1  0.357876  0.707194  0.314236  1
  H  H10  1  0.633904  0.029402  0.335069  1
  H  H11  1  0.748514  0.218319  0.293403  1
  H  H12  1  0.691209  0.373861  0.314236  1
  H  H13  1  0.081847  0.884986  0.293403  1
  H  H14  1  0.024543  0.040527  0.314236  1
  H  H15  1  0.300571  0.862735  0.335069  1
  H  H16  1  0.415181  0.051653  0.293403  1
  H  H17  1  0.357876  0.207194  0.314236  1
  H  H18  1  0.691209  0.873861  0.314236  1
  H  H19  1  0.980287  0.803507  0.289931  1
  H  H20  1  0.646954  0.636840  0.289931  1
  H  H21  1  0.589649  0.792382  0.310764  1
  H  H22  1  0.980287  0.303507  0.289931  1
  H  H23  1  0.922982  0.459048  0.310764  1
  H  H24  1  0.865677  0.614590  0.331597  1
  H  H25  1  0.313620  0.470174  0.289931  1
  H  H26  1  0.256316  0.625715  0.310764  1
  H  H27  1  0.199011  0.781256  0.331597  1
  H  H28  1  0.646954  0.136840  0.289931  1
  H  H29  1  0.589649  0.292382  0.310764  1
  H  H30  1  0.532344  0.447923  0.331597  1
  H  H31  1  0.922982  0.959048  0.310764  1
  H  H32  1  0.865677  0.114590  0.331597  1
  H  H33  1  0.313620  0.970174  0.289931  1
  H  H34  1  0.256316  0.125715  0.310764  1
  H  H35  1  0.199011  0.281256  0.331597  1
  H  H36  1  0.532344  0.947923  0.331597  1
  H  H37  1  0.795324  0.662693  0.397569  1
  H  H38  1  0.461990  0.496026  0.397569  1
  H  H39  1  0.576600  0.684944  0.355903  1
  H  H40  1  0.795324  0.162693  0.397569  1
  H  H41  1  0.909933  0.351610  0.355903  1
  H  H42  1  0.852628  0.507152  0.376736  1
  H  H43  1  0.128657  0.329360  0.397569  1
  H  H44  1  0.243266  0.518277  0.355903  1
  H  H45  1  0.185962  0.673818  0.376736  1
  H  H46  1  0.461990  0.996026  0.397569  1
  H  H47  1  0.576600  0.184944  0.355903  1
  H  H48  1  0.519295  0.340485  0.376736  1
  H  H49  1  0.909933  0.851610  0.355903  1
  H  H50  1  0.852628  0.007152  0.376736  1
  H  H51  1  0.128657  0.829360  0.397569  1
  H  H52  1  0.243266  0.018277  0.355903  1
  H  H53  1  0.185962  0.173818  0.376736  1
  H  H54  1  0.519295  0.840485  0.376736  1
  H  H55  1  0.808373  0.770131  0.352431  1
  H  H56  1  0.475039  0.603464  0.352431  1
  H  H57  1  0.417735  0.759006  0.373264  1
  H  H58  1  0.808373  0.270131  0.352431  1
  H  H59  1  0.751068  0.425672  0.373264  1
  H  H60  1  0.693763  0.581214  0.394097  1
  H  H61  1  0.141706  0.436798  0.352431  1
  H  H62  1  0.084401  0.592339  0.373264  1
  H  H63  1  0.027097  0.747881  0.394097  1
  H  H64  1  0.475039  0.103464  0.352431  1
  H  H65  1  0.417735  0.259006  0.373264  1
  H  H66  1  0.360430  0.414547  0.394097  1
  H  H67  1  0.751068  0.925672  0.373264  1
  H  H68  1  0.693763  0.081214  0.394097  1
  H  H69  1  0.141706  0.936798  0.352431  1
  H  H70  1  0.084401  0.092339  0.373264  1
  H  H71  1  0.027097  0.247881  0.394097  1
  H  H72  1  0.360430  0.914547  0.394097  1
  H  H73  1  0.623409  0.629317  0.460069  1
  H  H74  1  0.290076  0.462651  0.460069  1
  H  H75  1  0.404686  0.651568  0.418403  1
  H  H76  1  0.623409  0.129317  0.460069  1
  H  H77  1  0.738019  0.318234  0.418403  1
  H  H78  1  0.680714  0.473776  0.439236  1
  H  H79  1  0.956743  0.295984  0.460069  1
  H  H80  1  0.071352  0.484901  0.418403  1
  H  H81  1  0.014047  0.640443  0.439236  1
  H  H82  1  0.290076  0.962651  0.460069  1
  H  H83  1  0.404686  0.151568  0.418403  1
  H  H84  1  0.347381  0.307109  0.439236  1
  H  H85  1  0.738019  0.818234  0.418403  1
  H  H86  1  0.680714  0.973776  0.439236  1
  H  H87  1  0.956743  0.795984  0.460069  1
  H  H88  1  0.071352  0.984901  0.418403  1
  H  H89  1  0.014047  0.140443  0.439236  1
  H  H90  1  0.347381  0.807109  0.439236  1
  H  H91  1  0.636459  0.736755  0.414931  1
  H  H92  1  0.303125  0.570089  0.414931  1
  H  H93  1  0.245821  0.725630  0.435764  1
  H  H94  1  0.636459  0.236755  0.414931  1
  H  H95  1  0.579154  0.392297  0.435764  1
  H  H96  1  0.521849  0.547838  0.456597  1
  H  H97  1  0.969792  0.403422  0.414931  1
  H  H98  1  0.912487  0.558963  0.435764  1
  H  H99  1  0.855182  0.714505  0.456597  1
  H  H100  1  0.303125  0.070089  0.414931  1
  H  H101  1  0.245821  0.225630  0.435764  1
  H  H102  1  0.188516  0.381171  0.456597  1
  H  H103  1  0.579154  0.892297  0.435764  1
  H  H104  1  0.521849  0.047838  0.456597  1
  H  H105  1  0.969792  0.903422  0.414931  1
  H  H106  1  0.912487  0.058963  0.435764  1
  H  H107  1  0.855182  0.214505  0.456597  1
  H  H108  1  0.188516  0.881171  0.456597  1
  H  H109  1  0.451495  0.595941  0.522569  1
  H  H110  1  0.118162  0.429275  0.522569  1
  H  H111  1  0.232771  0.618192  0.480903  1
  H  H112  1  0.451495  0.095941  0.522569  1
  H  H113  1  0.566105  0.284859  0.480903  1
  H  H114  1  0.508800  0.440400  0.501736  1
  H  H115  1  0.784829  0.262608  0.522569  1
  H  H116  1  0.899438  0.451525  0.480903  1
  H  H117  1  0.842133  0.607067  0.501736  1
  H  H118  1  0.118162  0.929275  0.522569  1
  H  H119  1  0.232771  0.118192  0.480903  1
  H  H120  1  0.175467  0.273733  0.501736  1
  H  H121  1  0.566105  0.784859  0.480903  1
  H  H122  1  0.508800  0.940400  0.501736  1
  H  H123  1  0.784829  0.762608  0.522569  1
  H  H124  1  0.899438  0.951525  0.480903  1
  H  H125  1  0.842133  0.107067  0.501736  1
  H  H126  1  0.175467  0.773733  0.501736  1
  H  H127  1  0.464544  0.703380  0.477431  1
  H  H128  1  0.131211  0.536713  0.477431  1
  H  H129  1  0.073906  0.692254  0.498264  1
  H  H130  1  0.464544  0.203380  0.477431  1
  H  H131  1  0.407240  0.358921  0.498264  1
  H  H132  1  0.349935  0.514462  0.519097  1
  H  H133  1  0.797878  0.370046  0.477431  1
  H  H134  1  0.740573  0.525588  0.498264  1
  H  H135  1  0.683268  0.681129  0.519097  1
  H  H136  1  0.131211  0.036713  0.477431  1
  H  H137  1  0.073906  0.192254  0.498264  1
  H  H138  1  0.016602  0.347796  0.519097  1
  H  H139  1  0.407240  0.858921  0.498264  1
  H  H140  1  0.349935  0.014462  0.519097  1
  H  H141  1  0.797878  0.870046  0.477431  1
  H  H142  1  0.740573  0.025588  0.498264  1
  H  H143  1  0.683268  0.181129  0.519097  1
  H  H144  1  0.016602  0.847796  0.519097  1
  H  H145  1  0.279581  0.562566  0.585069  1
  H  H146  1  0.946248  0.395899  0.585069  1
  H  H147  1  0.060857  0.584816  0.543403  1
  H  H148  1  0.279581  0.062566  0.585069  1
  H  H149  1  0.394191  0.251483  0.543403  1
  H  H150  1  0.336886  0.407024  0.564236  1
  H  H151  1  0.612914  0.229232  0.585069  1
  H  H152  1  0.727524  0.418150  0.543403  1
  H  H153  1  0.670219  0.573691  0.564236  1
  H  H154  1  0.946248  0.895899  0.585069  1
  H  H155  1  0.060857  0.084816  0.543403  1
  H  H156  1  0.003552  0.240358  0.564236  1
  H  H157  1  0.394191  0.751483  0.543403  1
  H  H158  1  0.336886  0.907024  0.564236  1
  H  H159  1  0.612914  0.729232  0.585069  1
  H  H160  1  0.727524  0.918150  0.543403  1
  H  H161  1  0.670219  0.073691  0.564236  1
  H  H162  1  0.003552  0.740358  0.564236  1
  H  H163  1  0.292630  0.670004  0.539931  1
  H  H164  1  0.959297  0.503337  0.539931  1
  H  H165  1  0.901992  0.658879  0.560764  1
  H  H166  1  0.292630  0.170004  0.539931  1
  H  H167  1  0.235325  0.325545  0.560764  1
  H  H168  1  0.178021  0.481087  0.581597  1
  H  H169  1  0.625964  0.336670  0.539931  1
  H  H170  1  0.568659  0.492212  0.560764  1
  H  H171  1  0.511354  0.647753  0.581597  1
  H  H172  1  0.959297  0.003337  0.539931  1
  H  H173  1  0.901992  0.158879  0.560764  1
  H  H174  1  0.844687  0.314420  0.581597  1
  H  H175  1  0.235325  0.825545  0.560764  1
  H  H176  1  0.178021  0.981087  0.581597  1
  H  H177  1  0.625964  0.836670  0.539931  1
  H  H178  1  0.568659  0.992212  0.560764  1
  H  H179  1  0.511354  0.147753  0.581597  1
  H  H180  1  0.844687  0.814420  0.581597  1
  H  H181  1  0.107667  0.529190  0.647569  1
  H  H182  1  0.774334  0.362523  0.647569  1
  H  H183  1  0.888943  0.551440  0.605903  1
  H  H184  1  0.107667  0.029190  0.647569  1
  H  H185  1  0.222276  0.218107  0.605903  1
  H  H186  1  0.164972  0.373649  0.626736  1
  H  H187  1  0.441000  0.195857  0.647569  1
  H  H188  1  0.555610  0.384774  0.605903  1
  H  H189  1  0.498305  0.540315  0.626736  1
  H  H190  1  0.774334  0.862523  0.647569  1
  H  H191  1  0.888943  0.051440  0.605903  1
  H  H192  1  0.831638  0.206982  0.626736  1
  H  H193  1  0.222276  0.718107  0.605903  1
  H  H194  1  0.164972  0.873649  0.626736  1
  H  H195  1  0.441000  0.695857  0.647569  1
  H  H196  1  0.555610  0.884774  0.605903  1
  H  H197  1  0.498305  0.040315  0.626736  1
  H  H198  1  0.831638  0.706982  0.626736  1
  H  H199  1  0.120716  0.636628  0.602431  1
  H  H200  1  0.787383  0.469961  0.602431  1
  H  H201  1  0.730078  0.625503  0.623264  1
  H  H202  1  0.120716  0.136628  0.602431  1
  H  H203  1  0.063411  0.292169  0.623264  1
  H  H204  1  0.006107  0.447711  0.644097  1
  H  H205  1  0.454049  0.303295  0.602431  1
  H  H206  1  0.396745  0.458836  0.623264  1
  H  H207  1  0.339440  0.614378  0.644097  1
  H  H208  1  0.787383  0.969961  0.602431  1
  H  H209  1  0.730078  0.125503  0.623264  1
  H  H210  1  0.672773  0.281044  0.644097  1
  H  H211  1  0.063411  0.792169  0.623264  1
  H  H212  1  0.006107  0.947711  0.644097  1
  H  H213  1  0.454049  0.803295  0.602431  1
  H  H214  1  0.396745  0.958836  0.623264  1
  H  H215  1  0.339440  0.114378  0.644097  1
  H  H216  1  0.672773  0.781044  0.644097  1
  H  H217  1  0.935753  0.495814  0.710069  1
  H  H218  1  0.602419  0.329148  0.710069  1
  H  H219  1  0.717029  0.518065  0.668403  1
  H  H220  1  0.935753  0.995814  0.710069  1
  H  H221  1  0.050362  0.184731  0.668403  1
  H  H222  1  0.993057  0.340273  0.689236  1
  H  H223  1  0.269086  0.162481  0.710069  1
  H  H224  1  0.383695  0.351398  0.668403  1
  H  H225  1  0.326391  0.506939  0.689236  1
  H  H226  1  0.602419  0.829148  0.710069  1
  H  H227  1  0.717029  0.018065  0.668403  1
  H  H228  1  0.659724  0.173606  0.689236  1
  H  H229  1  0.050362  0.684731  0.668403  1
  H  H230  1  0.993057  0.840273  0.689236  1
  H  H231  1  0.269086  0.662481  0.710069  1
  H  H232  1  0.383695  0.851398  0.668403  1
  H  H233  1  0.326391  0.006939  0.689236  1
  H  H234  1  0.659724  0.673606  0.689236  1
  H  H235  1  0.948802  0.603252  0.664931  1
  H  H236  1  0.615468  0.436586  0.664931  1
  H  H237  1  0.558164  0.592127  0.685764  1
  H  H238  1  0.948802  0.103252  0.664931  1
  H  H239  1  0.891497  0.258794  0.685764  1
  H  H240  1  0.834192  0.414335  0.706597  1
  H  H241  1  0.282135  0.269919  0.664931  1
  H  H242  1  0.224830  0.425460  0.685764  1
  H  H243  1  0.167526  0.581002  0.706597  1
  H  H244  1  0.615468  0.936586  0.664931  1
  H  H245  1  0.558164  0.092127  0.685764  1
  H  H246  1  0.500859  0.247668  0.706597  1
  H  H247  1  0.891497  0.758794  0.685764  1
  H  H248  1  0.834192  0.914335  0.706597  1
  H  H249  1  0.282135  0.769919  0.664931  1
  H  H250  1  0.224830  0.925460  0.685764  1
  H  H251  1  0.167526  0.081002  0.706597  1
  H  H252  1  0.500859  0.747668  0.706597  1
