# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93586936
_cell_length_b   12.38475807
_cell_length_c   47.02127417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.29387430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4377.30807241
_cell_formula_units_Z   108
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  0.998594  0.537493  0.281614  1
  H  H2  1  0.498594  0.537493  0.281614  1
  H  H3  1  0.066672  0.882917  0.273686  1
  H  H4  1  0.915616  0.187798  0.289387  1
  H  H5  1  0.566672  0.882917  0.273686  1
  H  H6  1  0.415616  0.187798  0.289387  1
  H  H7  1  0.718755  0.691208  0.289760  1
  H  H8  1  0.218755  0.691208  0.289760  1
  H  H9  1  0.791598  0.034895  0.282021  1
  H  H10  1  0.895100  0.375145  0.275941  1
  H  H11  1  0.291598  0.034895  0.282021  1
  H  H12  1  0.395100  0.375145  0.275941  1
  H  H13  1  0.751695  0.512733  0.308298  1
  H  H14  1  0.251695  0.512733  0.308298  1
  H  H15  1  0.832600  0.847585  0.298649  1
  H  H16  1  0.666939  0.171807  0.315884  1
  H  H17  1  0.332600  0.847585  0.298649  1
  H  H18  1  0.166939  0.171807  0.315884  1
  H  H19  1  0.484479  0.670646  0.317175  1
  H  H20  1  0.984479  0.670646  0.317175  1
  H  H21  1  0.564042  0.010513  0.309479  1
  H  H22  1  0.654659  0.349123  0.300714  1
  H  H23  1  0.064042  0.010513  0.309479  1
  H  H24  1  0.154659  0.349123  0.300714  1
  H  H25  1  0.506661  0.490367  0.332331  1
  H  H26  1  0.006661  0.490367  0.332331  1
  H  H27  1  0.586631  0.830126  0.324178  1
  H  H28  1  0.420815  0.151782  0.340510  1
  H  H29  1  0.086631  0.830126  0.324178  1
  H  H30  1  0.920815  0.151782  0.340510  1
  H  H31  1  0.245124  0.650591  0.341850  1
  H  H32  1  0.745124  0.650591  0.341850  1
  H  H33  1  0.325185  0.989152  0.333259  1
  H  H34  1  0.410143  0.329369  0.325776  1
  H  H35  1  0.825185  0.989152  0.333259  1
  H  H36  1  0.910143  0.329369  0.325776  1
  H  H37  1  0.260123  0.470996  0.357055  1
  H  H38  1  0.760123  0.470996  0.357055  1
  H  H39  1  0.340581  0.811478  0.348911  1
  H  H40  1  0.176574  0.131000  0.364946  1
  H  H41  1  0.840581  0.811478  0.348911  1
  H  H42  1  0.676574  0.131000  0.364946  1
  H  H43  1  0.002361  0.629902  0.366691  1
  H  H44  1  0.502361  0.629902  0.366691  1
  H  H45  1  0.082273  0.969963  0.358518  1
  H  H46  1  0.166166  0.309979  0.350469  1
  H  H47  1  0.582273  0.969963  0.358518  1
  H  H48  1  0.666166  0.309979  0.350469  1
  H  H49  1  0.013885  0.451263  0.381467  1
  H  H50  1  0.513885  0.451263  0.381467  1
  H  H51  1  0.095359  0.791208  0.373458  1
  H  H52  1  0.931001  0.111612  0.389627  1
  H  H53  1  0.595359  0.791208  0.373458  1
  H  H54  1  0.431001  0.111612  0.389627  1
  H  H55  1  0.758016  0.610124  0.391429  1
  H  H56  1  0.258016  0.610124  0.391429  1
  H  H57  1  0.838744  0.950258  0.383135  1
  H  H58  1  0.921764  0.289790  0.375111  1
  H  H59  1  0.338744  0.950258  0.383135  1
  H  H60  1  0.421764  0.289790  0.375111  1
  H  H61  1  0.768117  0.431560  0.406038  1
  H  H62  1  0.268117  0.431560  0.406038  1
  H  H63  1  0.849765  0.771610  0.397936  1
  H  H64  1  0.685806  0.091624  0.414163  1
  H  H65  1  0.349765  0.771610  0.397936  1
  H  H66  1  0.185806  0.091624  0.414163  1
  H  H67  1  0.512976  0.590186  0.416127  1
  H  H68  1  0.012976  0.590186  0.416127  1
  H  H69  1  0.594134  0.930241  0.407922  1
  H  H70  1  0.676526  0.269928  0.399747  1
  H  H71  1  0.094134  0.930241  0.407922  1
  H  H72  1  0.176526  0.269928  0.399747  1
  H  H73  1  0.522736  0.411736  0.430626  1
  H  H74  1  0.022736  0.411736  0.430626  1
  H  H75  1  0.604380  0.751633  0.422475  1
  H  H76  1  0.440597  0.071834  0.438823  1
  H  H77  1  0.104380  0.751633  0.422475  1
  H  H78  1  0.940597  0.071834  0.438823  1
  H  H79  1  0.267775  0.570274  0.440798  1
  H  H80  1  0.767775  0.570274  0.440798  1
  H  H81  1  0.349211  0.910329  0.432567  1
  H  H82  1  0.431218  0.250200  0.424420  1
  H  H83  1  0.849211  0.910329  0.432567  1
  H  H84  1  0.931218  0.250200  0.424420  1
  H  H85  1  0.277388  0.391895  0.455259  1
  H  H86  1  0.777388  0.391895  0.455259  1
  H  H87  1  0.359054  0.731828  0.447061  1
  H  H88  1  0.195440  0.051931  0.463435  1
  H  H89  1  0.859054  0.731828  0.447061  1
  H  H90  1  0.695440  0.051931  0.463435  1
  H  H91  1  0.022493  0.550397  0.465450  1
  H  H92  1  0.522493  0.550397  0.465450  1
  H  H93  1  0.104070  0.890372  0.457235  1
  H  H94  1  0.185965  0.230282  0.449045  1
  H  H95  1  0.604070  0.890372  0.457235  1
  H  H96  1  0.685965  0.230282  0.449045  1
  H  H97  1  0.032137  0.372003  0.479884  1
  H  H98  1  0.532137  0.372003  0.479884  1
  H  H99  1  0.113797  0.711945  0.471680  1
  H  H100  1  0.950248  0.032054  0.488081  1
  H  H101  1  0.613797  0.711945  0.471680  1
  H  H102  1  0.450248  0.032054  0.488081  1
  H  H103  1  0.777228  0.530512  0.490095  1
  H  H104  1  0.277228  0.530512  0.490095  1
  H  H105  1  0.858868  0.870475  0.481874  1
  H  H106  1  0.940715  0.210425  0.473695  1
  H  H107  1  0.358868  0.870475  0.481874  1
  H  H108  1  0.440715  0.210425  0.473695  1
  H  H109  1  0.786890  0.352113  0.504531  1
  H  H110  1  0.286890  0.352113  0.504531  1
  H  H111  1  0.868529  0.692076  0.496309  1
  H  H112  1  0.705042  0.012164  0.512709  1
  H  H113  1  0.368529  0.692076  0.496309  1
  H  H114  1  0.205042  0.012164  0.512709  1
  H  H115  1  0.531960  0.510643  0.514724  1
  H  H116  1  0.031960  0.510643  0.514724  1
  H  H117  1  0.613620  0.850585  0.506520  1
  H  H118  1  0.695509  0.190534  0.498324  1
  H  H119  1  0.113620  0.850585  0.506520  1
  H  H120  1  0.195509  0.190534  0.498324  1
  H  H121  1  0.541688  0.332216  0.529169  1
  H  H122  1  0.041688  0.332216  0.529169  1
  H  H123  1  0.623264  0.672191  0.520954  1
  H  H124  1  0.459792  0.992306  0.537359  1
  H  H125  1  0.123264  0.672191  0.520954  1
  H  H126  1  0.959792  0.992306  0.537359  1
  H  H127  1  0.286704  0.490761  0.539343  1
  H  H128  1  0.786704  0.490761  0.539343  1
  H  H129  1  0.368369  0.830693  0.531145  1
  H  H130  1  0.450318  0.170657  0.522969  1
  H  H131  1  0.868369  0.830693  0.531145  1
  H  H132  1  0.950318  0.170657  0.522969  1
  H  H133  1  0.296547  0.312259  0.553837  1
  H  H134  1  0.796547  0.312259  0.553837  1
  H  H135  1  0.377983  0.652314  0.545606  1
  H  H136  1  0.214540  0.972388  0.561984  1
  H  H137  1  0.877983  0.652314  0.545606  1
  H  H138  1  0.714540  0.972388  0.561984  1
  H  H139  1  0.041377  0.470955  0.563929  1
  H  H140  1  0.541377  0.470955  0.563929  1
  H  H141  1  0.123022  0.810852  0.555779  1
  H  H142  1  0.205161  0.150755  0.547581  1
  H  H143  1  0.623022  0.810852  0.555779  1
  H  H144  1  0.705161  0.150755  0.547581  1
  H  H145  1  0.051623  0.292348  0.578482  1
  H  H146  1  0.551623  0.292348  0.578482  1
  H  H147  1  0.132782  0.632402  0.570277  1
  H  H148  1  0.969231  0.952660  0.586657  1
  H  H149  1  0.632782  0.632402  0.570277  1
  H  H150  1  0.469231  0.952660  0.586657  1
  H  H151  1  0.795993  0.450978  0.588468  1
  H  H152  1  0.295993  0.450978  0.588468  1
  H  H153  1  0.877640  0.791028  0.580366  1
  H  H154  1  0.959952  0.130964  0.572241  1
  H  H155  1  0.377640  0.791028  0.580366  1
  H  H156  1  0.459952  0.130964  0.572241  1
  H  H157  1  0.807013  0.272330  0.603270  1
  H  H158  1  0.307013  0.272330  0.603270  1
  H  H159  1  0.887742  0.612464  0.594976  1
  H  H160  1  0.723994  0.932798  0.611293  1
  H  H161  1  0.387742  0.612464  0.594976  1
  H  H162  1  0.223994  0.932798  0.611293  1
  H  H163  1  0.550398  0.431380  0.612946  1
  H  H164  1  0.050398  0.431380  0.612946  1
  H  H165  1  0.631873  0.771325  0.604938  1
  H  H166  1  0.714756  0.110976  0.596777  1
  H  H167  1  0.131873  0.771325  0.604938  1
  H  H168  1  0.214756  0.110976  0.596777  1
  H  H169  1  0.563484  0.252625  0.627886  1
  H  H170  1  0.063484  0.252625  0.627886  1
  H  H171  1  0.643396  0.592686  0.619714  1
  H  H172  1  0.479592  0.912609  0.635936  1
  H  H173  1  0.143396  0.592686  0.619714  1
  H  H174  1  0.979592  0.912609  0.635936  1
  H  H175  1  0.305177  0.411110  0.637494  1
  H  H176  1  0.805177  0.411110  0.637494  1
  H  H177  1  0.385635  0.751592  0.629349  1
  H  H178  1  0.469183  0.091589  0.621458  1
  H  H179  1  0.885635  0.751592  0.629349  1
  H  H180  1  0.969183  0.091589  0.621458  1
  H  H181  1  0.320572  0.233437  0.653145  1
  H  H182  1  0.820572  0.233437  0.653145  1
  H  H183  1  0.400633  0.571997  0.644555  1
  H  H184  1  0.235614  0.893219  0.660628  1
  H  H185  1  0.900633  0.571997  0.644555  1
  H  H186  1  0.735614  0.893219  0.660628  1
  H  H187  1  0.059127  0.392462  0.662226  1
  H  H188  1  0.559127  0.392462  0.662226  1
  H  H189  1  0.139096  0.732221  0.654073  1
  H  H190  1  0.224943  0.070807  0.645894  1
  H  H191  1  0.639096  0.732221  0.654073  1
  H  H192  1  0.724943  0.070807  0.645894  1
  H  H193  1  0.081716  0.212075  0.676925  1
  H  H194  1  0.581716  0.212075  0.676925  1
  H  H195  1  0.161278  0.551942  0.669230  1
  H  H196  1  0.991098  0.873465  0.685690  1
  H  H197  1  0.661278  0.551942  0.669230  1
  H  H198  1  0.491098  0.873465  0.685690  1
  H  H199  1  0.813157  0.375003  0.687755  1
  H  H200  1  0.313157  0.375003  0.687755  1
  H  H201  1  0.894063  0.709855  0.678106  1
  H  H202  1  0.978818  0.050781  0.670521  1
  H  H203  1  0.394063  0.709855  0.678106  1
  H  H204  1  0.478818  0.050781  0.670521  1
  H  H205  1  0.854159  0.187694  0.704384  1
  H  H206  1  0.354159  0.187694  0.704384  1
  H  H207  1  0.927003  0.531380  0.696644  1
  H  H208  1  0.750657  0.847443  0.710463  1
  H  H209  1  0.427003  0.531380  0.696644  1
  H  H210  1  0.250657  0.847443  0.710463  1
  H  H211  1  0.579085  0.339671  0.712718  1
  H  H212  1  0.079085  0.339671  0.712718  1
  H  H213  1  0.647164  0.685095  0.704790  1
  H  H214  1  0.730142  0.034790  0.697017  1
  H  H215  1  0.147164  0.685095  0.704790  1
  H  H216  1  0.230142  0.034790  0.697017  1
