# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.79761160
_cell_length_b   17.53124086
_cell_length_c   46.38614060
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.44098399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H432
_cell_volume   9046.89796915
_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  0.739713  0.837926  0.295186  1
  H  H2  1  0.406380  0.837926  0.295186  1
  H  H3  1  0.306823  0.339400  0.283418  1
  H  H4  1  0.073047  0.837926  0.295186  1
  H  H5  1  0.973490  0.339400  0.283418  1
  H  H6  1  0.640156  0.339400  0.283418  1
  H  H7  1  0.516543  0.576627  0.299188  1
  H  H8  1  0.183209  0.576627  0.299188  1
  H  H9  1  0.873711  0.113768  0.266493  1
  H  H10  1  0.849876  0.576627  0.299188  1
  H  H11  1  0.540377  0.113768  0.266493  1
  H  H12  1  0.207044  0.113768  0.266493  1
  H  H13  1  0.242766  0.456391  0.291455  1
  H  H14  1  0.909433  0.456391  0.291455  1
  H  H15  1  0.853381  0.977725  0.281548  1
  H  H16  1  0.576100  0.456391  0.291455  1
  H  H17  1  0.520047  0.977725  0.281548  1
  H  H18  1  0.186714  0.977725  0.281548  1
  H  H19  1  0.713616  0.694688  0.308573  1
  H  H20  1  0.380283  0.694688  0.308573  1
  H  H21  1  0.052481  0.226000  0.274684  1
  H  H22  1  0.046949  0.694688  0.308573  1
  H  H23  1  0.719148  0.226000  0.274684  1
  H  H24  1  0.385814  0.226000  0.274684  1
  H  H25  1  0.559730  0.812208  0.319611  1
  H  H26  1  0.226397  0.812208  0.319611  1
  H  H27  1  0.132907  0.323604  0.309524  1
  H  H28  1  0.893063  0.812208  0.319611  1
  H  H29  1  0.799574  0.323604  0.309524  1
  H  H30  1  0.466241  0.323604  0.309524  1
  H  H31  1  0.344244  0.557746  0.325179  1
  H  H32  1  0.010911  0.557746  0.325179  1
  H  H33  1  0.696731  0.088764  0.291377  1
  H  H34  1  0.677577  0.557746  0.325179  1
  H  H35  1  0.363398  0.088764  0.291377  1
  H  H36  1  0.030065  0.088764  0.291377  1
  H  H37  1  0.070107  0.440327  0.317215  1
  H  H38  1  0.736773  0.440327  0.317215  1
  H  H39  1  0.673986  0.952030  0.306228  1
  H  H40  1  0.403440  0.440327  0.317215  1
  H  H41  1  0.340652  0.952030  0.306228  1
  H  H42  1  1.007319  0.952030  0.306228  1
  H  H43  1  0.537702  0.675893  0.334586  1
  H  H44  1  0.204368  0.675893  0.334586  1
  H  H45  1  0.870991  0.207390  0.301077  1
  H  H46  1  0.871035  0.675893  0.334586  1
  H  H47  1  0.537658  0.207390  0.301077  1
  H  H48  1  0.204325  0.207390  0.301077  1
  H  H49  1  0.382218  0.792892  0.344515  1
  H  H50  1  0.048885  0.792892  0.344515  1
  H  H51  1  0.958265  0.305037  0.333832  1
  H  H52  1  0.715552  0.792892  0.344515  1
  H  H53  1  0.624932  0.305037  0.333832  1
  H  H54  1  0.291599  0.305037  0.333832  1
  H  H55  1  0.172935  0.539172  0.349836  1
  H  H56  1  0.839602  0.539172  0.349836  1
  H  H57  1  0.519412  0.070789  0.316396  1
  H  H58  1  0.506269  0.539172  0.349836  1
  H  H59  1  0.186079  0.070789  0.316396  1
  H  H60  1  0.852746  0.070789  0.316396  1
  H  H61  1  0.896898  0.421786  0.341820  1
  H  H62  1  0.563564  0.421786  0.341820  1
  H  H63  1  0.498552  0.932109  0.331069  1
  H  H64  1  0.230231  0.421786  0.341820  1
  H  H65  1  0.165218  0.932109  0.331069  1
  H  H66  1  0.831885  0.932109  0.331069  1
  H  H67  1  0.360360  0.655828  0.359212  1
  H  H68  1  0.027027  0.655828  0.359212  1
  H  H69  1  0.691426  0.186886  0.324676  1
  H  H70  1  0.693694  0.655828  0.359212  1
  H  H71  1  0.358093  0.186886  0.324676  1
  H  H72  1  0.024759  0.186886  0.324676  1
  H  H73  1  0.203234  0.772349  0.368803  1
  H  H74  1  0.869901  0.772349  0.368803  1
  H  H75  1  0.782250  0.283604  0.357879  1
  H  H76  1  0.536567  0.772349  0.368803  1
  H  H77  1  0.448917  0.283604  0.357879  1
  H  H78  1  0.115584  0.283604  0.357879  1
  H  H79  1  1.000046  0.518398  0.374230  1
  H  H80  1  0.666712  0.518398  0.374230  1
  H  H81  1  0.340349  0.048270  0.340003  1
  H  H82  1  0.333379  0.518398  0.374230  1
  H  H83  1  1.007016  0.048270  0.340003  1
  H  H84  1  0.673683  0.048270  0.340003  1
  H  H85  1  0.723214  0.401066  0.365938  1
  H  H86  1  0.389880  0.401066  0.365938  1
  H  H87  1  0.320735  0.909133  0.354835  1
  H  H88  1  0.056547  0.401066  0.365938  1
  H  H89  1  0.987402  0.909133  0.354835  1
  H  H90  1  0.654068  0.909133  0.354835  1
  H  H91  1  0.182453  0.635185  0.383709  1
  H  H92  1  0.849120  0.635185  0.383709  1
  H  H93  1  0.511839  0.166560  0.349005  1
  H  H94  1  0.515786  0.635185  0.383709  1
  H  H95  1  0.178506  0.166560  0.349005  1
  H  H96  1  0.845173  0.166560  0.349005  1
  H  H97  1  0.024171  0.751709  0.393010  1
  H  H98  1  0.690838  0.751709  0.393010  1
  H  H99  1  0.606639  0.262504  0.381901  1
  H  H100  1  0.357504  0.751709  0.393010  1
  H  H101  1  0.273306  0.262504  0.381901  1
  H  H102  1  0.939973  0.262504  0.381901  1
  H  H103  1  0.825338  0.497232  0.398555  1
  H  H104  1  0.492005  0.497232  0.398555  1
  H  H105  1  0.161369  0.027240  0.364140  1
  H  H106  1  0.158671  0.497232  0.398555  1
  H  H107  1  0.828036  0.027240  0.364140  1
  H  H108  1  0.494702  0.027240  0.364140  1
  H  H109  1  0.548059  0.379655  0.390062  1
  H  H110  1  0.214726  0.379655  0.390062  1
  H  H111  1  0.143928  0.888749  0.379120  1
  H  H112  1  0.881392  0.379655  0.390062  1
  H  H113  1  0.810595  0.888749  0.379120  1
  H  H114  1  0.477261  0.888749  0.379120  1
  H  H115  1  1.004086  0.613911  0.407920  1
  H  H116  1  0.670752  0.613911  0.407920  1
  H  H117  1  0.333040  0.144552  0.372771  1
  H  H118  1  0.337419  0.613911  0.407920  1
  H  H119  1  0.999707  0.144552  0.372771  1
  H  H120  1  0.666373  0.144552  0.372771  1
  H  H121  1  0.845064  0.730645  0.417080  1
  H  H122  1  0.511730  0.730645  0.417080  1
  H  H123  1  0.430023  0.240842  0.405915  1
  H  H124  1  0.178397  0.730645  0.417080  1
  H  H125  1  0.096689  0.240842  0.405915  1
  H  H126  1  0.763356  0.240842  0.405915  1
  H  H127  1  0.649346  0.475834  0.422892  1
  H  H128  1  0.316012  0.475834  0.422892  1
  H  H129  1  0.983283  1.005744  0.387979  1
  H  H130  1  0.982679  0.475834  0.422892  1
  H  H131  1  0.649950  1.005744  0.387979  1
  H  H132  1  0.316616  1.005744  0.387979  1
  H  H133  1  0.372128  0.358341  0.414257  1
  H  H134  1  0.038795  0.358341  0.414257  1
  H  H135  1  0.966723  0.868030  0.403224  1
  H  H136  1  0.705462  0.358341  0.414257  1
  H  H137  1  0.633390  0.868030  0.403224  1
  H  H138  1  0.300057  0.868030  0.403224  1
  H  H139  1  0.825638  0.592515  0.432048  1
  H  H140  1  0.492305  0.592515  0.432048  1
  H  H141  1  0.155356  0.123438  0.396977  1
  H  H142  1  0.158972  0.592515  0.432048  1
  H  H143  1  0.822023  0.123438  0.396977  1
  H  H144  1  0.488689  0.123438  0.396977  1
  H  H145  1  0.666336  0.709337  0.441169  1
  H  H146  1  0.333003  0.709337  0.441169  1
  H  H147  1  0.253422  0.219692  0.430017  1
  H  H148  1  0.999670  0.709337  0.441169  1
  H  H149  1  0.920089  0.219692  0.430017  1
  H  H150  1  0.586755  0.219692  0.430017  1
  H  H151  1  0.472824  0.454422  0.447142  1
  H  H152  1  0.139491  0.454422  0.447142  1
  H  H153  1  0.805851  0.985024  0.412186  1
  H  H154  1  0.806157  0.454422  0.447142  1
  H  H155  1  0.472518  0.985024  0.412186  1
  H  H156  1  0.139184  0.985024  0.412186  1
  H  H157  1  0.195612  0.336903  0.438392  1
  H  H158  1  0.862278  0.336903  0.438392  1
  H  H159  1  0.789132  0.847062  0.427371  1
  H  H160  1  0.528945  0.336903  0.438392  1
  H  H161  1  0.455798  0.847062  0.427371  1
  H  H162  1  0.122465  0.847062  0.427371  1
  H  H163  1  0.647525  0.571245  0.456187  1
  H  H164  1  0.314191  0.571245  0.456187  1
  H  H165  1  0.978002  0.102206  0.421076  1
  H  H166  1  0.980858  0.571245  0.456187  1
  H  H167  1  0.644669  0.102206  0.421076  1
  H  H168  1  0.311336  0.102206  0.421076  1
  H  H169  1  0.488036  0.688090  0.465271  1
  H  H170  1  0.154702  0.688090  0.465271  1
  H  H171  1  0.076601  0.198444  0.454129  1
  H  H172  1  0.821369  0.688090  0.465271  1
  H  H173  1  0.743268  0.198444  0.454129  1
  H  H174  1  0.409935  0.198444  0.454129  1
  H  H175  1  0.295973  0.432978  0.471330  1
  H  H176  1  0.962639  0.432978  0.471330  1
  H  H177  1  0.628375  0.964018  0.436305  1
  H  H178  1  0.629306  0.432978  0.471330  1
  H  H179  1  0.295041  0.964018  0.436305  1
  H  H180  1  0.961708  0.964018  0.436305  1
  H  H181  1  0.018970  0.315557  0.462524  1
  H  H182  1  0.685636  0.315557  0.462524  1
  H  H183  1  0.611265  0.825856  0.451438  1
  H  H184  1  0.352303  0.315557  0.462524  1
  H  H185  1  0.277932  0.825856  0.451438  1
  H  H186  1  0.944599  0.825856  0.451438  1
  H  H187  1  0.469660  0.549972  0.480318  1
  H  H188  1  0.136327  0.549972  0.480318  1
  H  H189  1  0.800676  0.081110  0.445224  1
  H  H190  1  0.802994  0.549972  0.480318  1
  H  H191  1  0.467343  0.081110  0.445224  1
  H  H192  1  0.134010  0.081110  0.445224  1
  H  H193  1  0.309924  0.666883  0.489392  1
  H  H194  1  0.976590  0.666883  0.489392  1
  H  H195  1  0.899771  0.177235  0.478248  1
  H  H196  1  0.643257  0.666883  0.489392  1
  H  H197  1  0.566438  0.177235  0.478248  1
  H  H198  1  0.233104  0.177235  0.478248  1
  H  H199  1  0.118935  0.411619  0.495497  1
  H  H200  1  0.785601  0.411619  0.495497  1
  H  H201  1  0.450809  0.942848  0.460449  1
  H  H202  1  0.452268  0.411619  0.495497  1
  H  H203  1  0.117476  0.942848  0.460449  1
  H  H204  1  0.784142  0.942848  0.460449  1
  H  H205  1  0.842207  0.294273  0.486648  1
  H  H206  1  0.508874  0.294273  0.486648  1
  H  H207  1  0.433263  0.804589  0.475529  1
  H  H208  1  0.175540  0.294273  0.486648  1
  H  H209  1  0.099929  0.804589  0.475529  1
  H  H210  1  0.766596  0.804589  0.475529  1
  H  H211  1  0.291954  0.528676  0.504445  1
  H  H212  1  0.958621  0.528676  0.504445  1
  H  H213  1  0.623390  0.059908  0.469368  1
  H  H214  1  0.625287  0.528676  0.504445  1
  H  H215  1  0.290057  0.059908  0.469368  1
  H  H216  1  0.956723  0.059908  0.469368  1
  H  H217  1  0.131885  0.645668  0.513490  1
  H  H218  1  0.798552  0.645668  0.513490  1
  H  H219  1  0.722941  0.155984  0.502371  1
  H  H220  1  0.465218  0.645668  0.513490  1
  H  H221  1  0.389607  0.155984  0.502371  1
  H  H222  1  0.056274  0.155984  0.502371  1
  H  H223  1  0.941758  0.390348  0.519651  1
  H  H224  1  0.608424  0.390348  0.519651  1
  H  H225  1  0.273194  0.921580  0.484574  1
  H  H226  1  0.275091  0.390348  0.519651  1
  H  H227  1  0.939860  0.921580  0.484574  1
  H  H228  1  0.606527  0.921580  0.484574  1
  H  H229  1  0.665377  0.273021  0.510771  1
  H  H230  1  0.332043  0.273021  0.510771  1
  H  H231  1  0.255224  0.783374  0.499627  1
  H  H232  1  0.998710  0.273021  0.510771  1
  H  H233  1  0.921891  0.783374  0.499627  1
  H  H234  1  0.588557  0.783374  0.499627  1
  H  H235  1  0.114339  0.507409  0.528570  1
  H  H236  1  0.781005  0.507409  0.528570  1
  H  H237  1  0.446213  0.038638  0.493522  1
  H  H238  1  0.447672  0.507409  0.528570  1
  H  H239  1  0.112880  0.038638  0.493522  1
  H  H240  1  0.779546  0.038638  0.493522  1
  H  H241  1  0.953882  0.624400  0.537581  1
  H  H242  1  0.620549  0.624400  0.537581  1
  H  H243  1  0.546178  0.134699  0.526495  1
  H  H244  1  0.287216  0.624400  0.537581  1
  H  H245  1  0.212845  0.134699  0.526495  1
  H  H246  1  0.879512  0.134699  0.526495  1
  H  H247  1  0.764471  0.369147  0.543795  1
  H  H248  1  0.431138  0.369147  0.543795  1
  H  H249  1  0.095487  0.900284  0.508701  1
  H  H250  1  0.097805  0.369147  0.543795  1
  H  H251  1  0.762154  0.900284  0.508701  1
  H  H252  1  0.428821  0.900284  0.508701  1
  H  H253  1  0.488546  0.251812  0.534890  1
  H  H254  1  0.155213  0.251812  0.534890  1
  H  H255  1  0.077112  0.762166  0.523748  1
  H  H256  1  0.821880  0.251812  0.534890  1
  H  H257  1  0.743779  0.762166  0.523748  1
  H  H258  1  0.410445  0.762166  0.523748  1
  H  H259  1  0.936773  0.486239  0.552714  1
  H  H260  1  0.603440  0.486239  0.552714  1
  H  H261  1  0.269175  0.017279  0.517690  1
  H  H262  1  0.270106  0.486239  0.552714  1
  H  H263  1  0.935842  0.017279  0.517690  1
  H  H264  1  0.602508  0.017279  0.517690  1
  H  H265  1  0.776016  0.603195  0.561648  1
  H  H266  1  0.442683  0.603195  0.561648  1
  H  H267  1  0.369536  0.113354  0.550627  1
  H  H268  1  0.109350  0.603195  0.561648  1
  H  H269  1  0.036203  0.113354  0.550627  1
  H  H270  1  0.702869  0.113354  0.550627  1
  H  H271  1  0.587145  0.348051  0.567943  1
  H  H272  1  0.253812  0.348051  0.567943  1
  H  H273  1  0.917623  0.879011  0.532832  1
  H  H274  1  0.920479  0.348051  0.567943  1
  H  H275  1  0.584290  0.879011  0.532832  1
  H  H276  1  0.250956  0.879011  0.532832  1
  H  H277  1  0.311726  0.230565  0.559002  1
  H  H278  1  0.978392  0.230565  0.559002  1
  H  H279  1  0.898812  0.740920  0.547850  1
  H  H280  1  0.645059  0.230565  0.559002  1
  H  H281  1  0.565478  0.740920  0.547850  1
  H  H282  1  0.232145  0.740920  0.547850  1
  H  H283  1  0.759297  0.465233  0.576833  1
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  H  H432  1  0.381938  0.873629  0.689831  1
