# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86333865
_cell_length_b   23.18147686
_cell_length_c   47.01065495
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.26733998
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7476.08483091
_cell_formula_units_Z   180
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  0.723543  0.834158  0.282428  1
  H  H2  1  0.056877  0.500825  0.282428  1
  H  H3  1  0.059687  0.836713  0.260386  1
  H  H4  1  0.390210  0.167492  0.282428  1
  H  H5  1  0.393020  0.503380  0.260386  1
  H  H6  1  0.392376  0.834038  0.273479  1
  H  H7  1  0.726354  0.170047  0.260386  1
  H  H8  1  0.725709  0.500704  0.273479  1
  H  H9  1  0.059043  0.167371  0.273479  1
  H  H10  1  0.835957  0.744437  0.307805  1
  H  H11  1  0.169290  0.411104  0.307805  1
  H  H12  1  0.181058  0.750329  0.285290  1
  H  H13  1  0.502623  0.077770  0.307805  1
  H  H14  1  0.514392  0.416995  0.285290  1
  H  H15  1  0.515212  0.749086  0.295885  1
  H  H16  1  0.847725  0.083662  0.285290  1
  H  H17  1  0.848546  0.415753  0.295885  1
  H  H18  1  0.181879  0.082420  0.295885  1
  H  H19  1  0.683462  0.666857  0.277290  1
  H  H20  1  0.016796  0.333524  0.277290  1
  H  H21  1  0.011329  0.661224  0.294825  1
  H  H22  1  0.350129  0.000191  0.277290  1
  H  H23  1  0.344662  0.327891  0.294825  1
  H  H24  1  0.338380  0.662371  0.307742  1
  H  H25  1  0.677995  0.994557  0.294825  1
  H  H26  1  0.671713  0.329038  0.307742  1
  H  H27  1  1.005046  0.995704  0.307742  1
  H  H28  1  0.556271  0.921043  0.261290  1
  H  H29  1  0.889604  0.587710  0.261290  1
  H  H30  1  0.890100  0.922939  0.275378  1
  H  H31  1  0.222937  0.254376  0.261290  1
  H  H32  1  0.223434  0.589606  0.275378  1
  H  H33  1  0.203763  0.912299  0.290998  1
  H  H34  1  0.556767  0.256272  0.275378  1
  H  H35  1  0.537097  0.578965  0.290998  1
  H  H36  1  0.870430  0.245632  0.290998  1
  H  H37  1  0.640692  0.821844  0.328495  1
  H  H38  1  0.974025  0.488511  0.328495  1
  H  H39  1  0.010400  0.831259  0.306885  1
  H  H40  1  0.307359  0.155178  0.328495  1
  H  H41  1  0.343734  0.497926  0.306885  1
  H  H42  1  0.321030  0.823734  0.319590  1
  H  H43  1  0.677067  0.164592  0.306885  1
  H  H44  1  0.654363  0.490401  0.319590  1
  H  H45  1  0.987696  0.157067  0.319590  1
  H  H46  1  0.754076  0.732055  0.354671  1
  H  H47  1  0.087409  0.398722  0.354671  1
  H  H48  1  0.122957  0.737913  0.331868  1
  H  H49  1  0.420742  0.065388  0.354671  1
  H  H50  1  0.456290  0.404580  0.331868  1
  H  H51  1  0.442712  0.735256  0.341816  1
  H  H52  1  0.789623  0.071246  0.331868  1
  H  H53  1  0.776045  0.401923  0.341816  1
  H  H54  1  0.109379  0.068589  0.341816  1
  H  H55  1  0.648470  0.656087  0.324021  1
  H  H56  1  0.981803  0.322754  0.324021  1
  H  H57  1  0.948973  0.651548  0.341099  1
  H  H58  1  0.315136  0.989420  0.324021  1
  H  H59  1  0.282307  0.318215  0.341099  1
  H  H60  1  0.256999  0.650022  0.354566  1
  H  H61  1  0.615640  0.984882  0.341099  1
  H  H62  1  0.590332  0.316689  0.354566  1
  H  H63  1  0.923666  0.983356  0.354566  1
  H  H64  1  0.511145  0.908252  0.307478  1
  H  H65  1  0.844478  0.574919  0.307478  1
  H  H66  1  0.819640  0.909665  0.321376  1
  H  H67  1  0.177812  0.241586  0.307478  1
  H  H68  1  0.152973  0.576331  0.321376  1
  H  H69  1  0.124016  0.905045  0.337135  1
  H  H70  1  0.486307  0.242998  0.321376  1
  H  H71  1  0.457349  0.571712  0.337135  1
  H  H72  1  0.790683  0.238379  0.337135  1
  H  H73  1  0.553890  0.810262  0.373869  1
  H  H74  1  0.887223  0.476928  0.373869  1
  H  H75  1  0.926784  0.817425  0.350830  1
  H  H76  1  0.220557  0.143595  0.373869  1
  H  H77  1  0.260117  0.484092  0.350830  1
  H  H78  1  0.236496  0.812967  0.364312  1
  H  H79  1  0.593451  0.150758  0.350830  1
  H  H80  1  0.569829  0.479634  0.364312  1
  H  H81  1  0.903163  0.146301  0.364312  1
  H  H82  1  0.667658  0.720929  0.400724  1
  H  H83  1  1.000991  0.387596  0.400724  1
  H  H84  1  0.040614  0.727044  0.377306  1
  H  H85  1  0.334324  0.054263  0.400724  1
  H  H86  1  0.373947  0.393710  0.377306  1
  H  H87  1  0.357323  0.724548  0.387193  1
  H  H88  1  0.707281  0.060377  0.377306  1
  H  H89  1  0.690656  0.391215  0.387193  1
  H  H90  1  0.023990  0.057881  0.387193  1
  H  H91  1  0.562320  0.646042  0.369014  1
  H  H92  1  0.895653  0.312708  0.369014  1
  H  H93  1  0.861682  0.640656  0.385960  1
  H  H94  1  0.228986  0.979375  0.369014  1
  H  H95  1  0.195015  0.307322  0.385960  1
  H  H96  1  0.168577  0.638380  0.400295  1
  H  H97  1  0.528349  0.973989  0.385960  1
  H  H98  1  0.501910  0.305047  0.400295  1
  H  H99  1  0.835243  0.971714  0.400295  1
  H  H100  1  0.428056  0.898896  0.351869  1
  H  H101  1  0.761390  0.565563  0.351869  1
  H  H102  1  0.733918  0.897092  0.366253  1
  H  H103  1  0.094723  0.232229  0.351869  1
  H  H104  1  0.067251  0.563759  0.366253  1
  H  H105  1  0.036897  0.892510  0.382373  1
  H  H106  1  0.400585  0.230425  0.366253  1
  H  H107  1  0.370230  0.559177  0.382373  1
  H  H108  1  0.703563  0.225844  0.382373  1
  H  H109  1  0.468988  0.799681  0.419417  1
  H  H110  1  0.802321  0.466348  0.419417  1
  H  H111  1  0.842909  0.806594  0.395645  1
  H  H112  1  0.135655  0.133014  0.419417  1
  H  H113  1  0.176242  0.473261  0.395645  1
  H  H114  1  0.152249  0.802325  0.409514  1
  H  H115  1  0.509575  0.139928  0.395645  1
  H  H116  1  0.485582  0.468992  0.409514  1
  H  H117  1  0.818916  0.135658  0.409514  1
  H  H118  1  0.582312  0.709892  0.446471  1
  H  H119  1  0.915646  0.376558  0.446471  1
  H  H120  1  0.956420  0.716157  0.422549  1
  H  H121  1  0.248979  0.043225  0.446471  1
  H  H122  1  0.289753  0.382824  0.422549  1
  H  H123  1  0.273048  0.713603  0.432584  1
  H  H124  1  0.623087  0.049490  0.422549  1
  H  H125  1  0.606382  0.380269  0.432584  1
  H  H126  1  0.939715  0.046936  0.432584  1
  H  H127  1  0.476457  0.634851  0.414085  1
  H  H128  1  0.809790  0.301518  0.414085  1
  H  H129  1  0.776897  0.629987  0.431024  1
  H  H130  1  0.143123  0.968184  0.414085  1
  H  H131  1  0.110230  0.296654  0.431024  1
  H  H132  1  0.082597  0.627383  0.445932  1
  H  H133  1  0.443564  0.963321  0.431024  1
  H  H134  1  0.415930  0.294050  0.445932  1
  H  H135  1  0.749264  0.960717  0.445932  1
  H  H136  1  0.343794  0.888229  0.396582  1
  H  H137  1  0.677127  0.554896  0.396582  1
  H  H138  1  0.648711  0.886232  0.411497  1
  H  H139  1  0.010461  0.221563  0.396582  1
  H  H140  1  0.982044  0.552899  0.411497  1
  H  H141  1  0.950926  0.881619  0.427811  1
  H  H142  1  0.315378  0.219565  0.411497  1
  H  H143  1  0.284259  0.548286  0.427811  1
  H  H144  1  0.617593  0.214952  0.427811  1
  H  H145  1  0.383693  0.788885  0.464828  1
  H  H146  1  0.717027  0.455552  0.464828  1
  H  H147  1  0.758738  0.795646  0.440771  1
  H  H148  1  0.050360  0.122218  0.464828  1
  H  H149  1  0.092072  0.462313  0.440771  1
  H  H150  1  0.067476  0.791537  0.454792  1
  H  H151  1  0.425405  0.128980  0.440771  1
  H  H152  1  0.400809  0.458204  0.454792  1
  H  H153  1  0.734142  0.124870  0.454792  1
  H  H154  1  0.497056  0.698870  0.491964  1
  H  H155  1  0.830390  0.365537  0.491964  1
  H  H156  1  0.872076  0.705414  0.467866  1
  H  H157  1  0.163723  0.032204  0.491964  1
  H  H158  1  0.205410  0.372081  0.467866  1
  H  H159  1  0.188255  0.702765  0.477925  1
  H  H160  1  0.538743  0.038747  0.467866  1
  H  H161  1  0.521589  0.369432  0.477925  1
  H  H162  1  0.854922  0.036099  0.477925  1
  H  H163  1  0.391286  0.623886  0.459424  1
  H  H164  1  0.724619  0.290553  0.459424  1
  H  H165  1  0.692243  0.619188  0.476143  1
  H  H166  1  0.057953  0.957220  0.459424  1
  H  H167  1  0.025576  0.285855  0.476143  1
  H  H168  1  0.997030  0.616548  0.491309  1
  H  H169  1  0.358910  0.952522  0.476143  1
  H  H170  1  0.330363  0.283214  0.491309  1
  H  H171  1  0.663696  0.949881  0.491309  1
  H  H172  1  0.258942  0.877714  0.441560  1
  H  H173  1  0.592275  0.544381  0.441560  1
  H  H174  1  0.563601  0.875213  0.456729  1
  H  H175  1  0.925609  0.211048  0.441560  1
  H  H176  1  0.896935  0.541880  0.456729  1
  H  H177  1  0.865253  0.870616  0.473239  1
  H  H178  1  0.230268  0.208546  0.456729  1
  H  H179  1  0.198586  0.537283  0.473239  1
  H  H180  1  0.531920  0.203950  0.473239  1
  H  H181  1  0.298803  0.778095  0.510177  1
  H  H182  1  0.632136  0.444762  0.510177  1
  H  H183  1  0.673823  0.784638  0.486079  1
  H  H184  1  0.965470  0.111428  0.510177  1
  H  H185  1  1.007156  0.451305  0.486079  1
  H  H186  1  0.982624  0.780744  0.500118  1
  H  H187  1  0.340490  0.117972  0.486079  1
  H  H188  1  0.315958  0.447410  0.500118  1
  H  H189  1  0.649291  0.114077  0.500118  1
  H  H190  1  0.412141  0.687863  0.537272  1
  H  H191  1  0.745475  0.354529  0.537272  1
  H  H192  1  0.787186  0.694624  0.513215  1
  H  H193  1  0.078808  0.021196  0.537272  1
  H  H194  1  0.120520  0.361290  0.513215  1
  H  H195  1  0.103404  0.691972  0.523251  1
  H  H196  1  0.453853  0.027957  0.513215  1
  H  H197  1  0.436737  0.358638  0.523251  1
  H  H198  1  0.770070  0.025305  0.523251  1
  H  H199  1  0.305626  0.612892  0.504804  1
  H  H200  1  0.638960  0.279559  0.504804  1
  H  H201  1  0.607278  0.608296  0.521314  1
  H  H202  1  0.972293  0.946226  0.504804  1
  H  H203  1  0.940612  0.274963  0.521314  1
  H  H204  1  0.911938  0.605795  0.536483  1
  H  H205  1  0.273945  0.941629  0.521314  1
  H  H206  1  0.245271  0.272461  0.536483  1
  H  H207  1  0.578604  0.939128  0.536483  1
  H  H208  1  0.173850  0.866961  0.486734  1
  H  H209  1  0.507183  0.533628  0.486734  1
  H  H210  1  0.478636  0.864320  0.501900  1
  H  H211  1  0.840517  0.200295  0.486734  1
  H  H212  1  0.811970  0.530987  0.501900  1
  H  H213  1  0.779593  0.859622  0.518619  1
  H  H214  1  0.145303  0.197654  0.501900  1
  H  H215  1  0.112927  0.526289  0.518619  1
  H  H216  1  0.446260  0.192956  0.518619  1
  H  H217  1  0.214460  0.767352  0.555494  1
  H  H218  1  0.547793  0.434019  0.555494  1
  H  H219  1  0.588567  0.773617  0.531572  1
  H  H220  1  0.881126  0.100685  0.555494  1
  H  H221  1  0.921901  0.440284  0.531572  1
  H  H222  1  0.897831  0.769906  0.545458  1
  H  H223  1  0.255234  0.106951  0.531572  1
  H  H224  1  0.231165  0.436573  0.545458  1
  H  H225  1  0.564498  0.103240  0.545458  1
  H  H226  1  0.327971  0.676914  0.582398  1
  H  H227  1  0.661304  0.343581  0.582398  1
  H  H228  1  0.701892  0.683828  0.558626  1
  H  H229  1  0.994637  0.010248  0.582398  1
  H  H230  1  0.035225  0.350494  0.558626  1
  H  H231  1  0.018631  0.681184  0.568529  1
  H  H232  1  0.368558  0.017161  0.558626  1
  H  H233  1  0.351964  0.347851  0.568529  1
  H  H234  1  0.685297  0.014517  0.568529  1
  H  H235  1  0.219954  0.601890  0.550232  1
  H  H236  1  0.553287  0.268556  0.550232  1
  H  H237  1  0.522168  0.597277  0.566546  1
  H  H238  1  0.886620  0.935223  0.550232  1
  H  H239  1  0.855502  0.263944  0.566546  1
  H  H240  1  0.827086  0.595279  0.581461  1
  H  H241  1  0.188835  0.930610  0.566546  1
  H  H242  1  0.160419  0.261946  0.581461  1
  H  H243  1  0.493752  0.928613  0.581461  1
  H  H244  1  0.088283  0.856126  0.532111  1
  H  H245  1  0.421616  0.522792  0.532111  1
  H  H246  1  0.393983  0.853521  0.547019  1
  H  H247  1  0.754949  0.189459  0.532111  1
  H  H248  1  0.727316  0.520188  0.547019  1
  H  H249  1  0.694423  0.848658  0.563958  1
  H  H250  1  0.060649  0.186855  0.547019  1
  H  H251  1  0.027756  0.515324  0.563958  1
  H  H252  1  0.361089  0.181991  0.563958  1
  H  H253  1  0.130265  0.756465  0.600737  1
  H  H254  1  0.463599  0.423132  0.600737  1
  H  H255  1  0.503222  0.762580  0.577319  1
  H  H256  1  0.796932  0.089799  0.600737  1
  H  H257  1  0.836555  0.429246  0.577319  1
  H  H258  1  0.813556  0.758961  0.590850  1
  H  H259  1  0.169888  0.095913  0.577319  1
  H  H260  1  0.146890  0.425628  0.590850  1
  H  H261  1  0.480223  0.092294  0.590850  1
  H  H262  1  0.244096  0.666084  0.627213  1
  H  H263  1  0.577429  0.332750  0.627213  1
  H  H264  1  0.616990  0.673247  0.604174  1
  H  H265  1  0.910762  -0.000583  0.627213  1
  H  H266  1  0.950323  0.339914  0.604174  1
  H  H267  1  0.934383  0.670542  0.613731  1
  H  H268  1  0.283656  0.006580  0.604174  1
  H  H269  1  0.267717  0.337208  0.613731  1
  H  H270  1  0.601050  0.003875  0.613731  1
  H  H271  1  0.133983  0.590998  0.595670  1
  H  H272  1  0.467316  0.257665  0.595670  1
  H  H273  1  0.436961  0.586417  0.611790  1
  H  H274  1  0.800649  0.924332  0.595670  1
  H  H275  1  0.770295  0.253084  0.611790  1
  H  H276  1  0.742823  0.584613  0.626174  1
  H  H277  1  0.103628  0.919750  0.611790  1
  H  H278  1  0.076156  0.251280  0.626174  1
  H  H279  1  0.409490  0.917946  0.626174  1
  H  H280  1  1.002303  0.845128  0.577748  1
  H  H281  1  0.335636  0.511795  0.577748  1
  H  H282  1  0.309198  0.842853  0.592083  1
  H  H283  1  0.668970  0.178462  0.577748  1
  H  H284  1  0.642531  0.509520  0.592083  1
  H  H285  1  0.608560  0.837467  0.609029  1
  H  H286  1  0.975864  0.176186  0.592083  1
  H  H287  1  0.941893  0.504134  0.609029  1
  H  H288  1  0.275227  0.170800  0.609029  1
  H  H289  1  0.047923  0.745596  0.646175  1
  H  H290  1  0.381256  0.412262  0.646175  1
  H  H291  1  0.416804  0.751454  0.623372  1
  H  H292  1  0.714589  0.078929  0.646175  1
  H  H293  1  0.750137  0.418120  0.623372  1
  H  H294  1  0.728168  0.748253  0.636227  1
  H  H295  1  0.083470  0.084787  0.623372  1
  H  H296  1  0.061501  0.414920  0.636227  1
  H  H297  1  0.394834  0.081586  0.636227  1
  H  H298  1  0.160479  0.652250  0.671158  1
  H  H299  1  0.493812  0.318916  0.671158  1
  H  H300  1  0.530188  0.661664  0.649548  1
  H  H301  1  0.827146  0.985583  0.671158  1
  H  H302  1  0.863521  0.328331  0.649548  1
  H  H303  1  0.849850  0.659775  0.658453  1
  H  H304  1  0.196854  0.994998  0.649548  1
  H  H305  1  0.183183  0.326442  0.658453  1
  H  H306  1  0.516517  0.993108  0.658453  1
  H  H307  1  0.046864  0.578463  0.640908  1
  H  H308  1  0.380197  0.245130  0.640908  1
  H  H309  1  0.351240  0.573844  0.656667  1
  H  H310  1  0.713530  0.911797  0.640908  1
  H  H311  1  0.684573  0.240511  0.656667  1
  H  H312  1  0.659735  0.575256  0.670565  1
  H  H313  1  0.017906  0.907178  0.656667  1
  H  H314  1  0.993068  0.241923  0.670565  1
  H  H315  1  0.326401  0.908590  0.670565  1
  H  H316  1  0.913881  0.833486  0.623477  1
  H  H317  1  0.247214  0.500153  0.623477  1
  H  H318  1  0.221906  0.831961  0.636944  1
  H  H319  1  0.580547  0.166820  0.623477  1
  H  H320  1  0.555240  0.498627  0.636944  1
  H  H321  1  0.522410  0.827422  0.654022  1
  H  H322  1  0.888573  0.165294  0.636944  1
  H  H323  1  0.855743  0.494089  0.654022  1
  H  H324  1  0.189077  0.160755  0.654022  1
  H  H325  1  0.989821  0.733180  0.692753  1
  H  H326  1  0.323155  0.399847  0.692753  1
  H  H327  1  0.334923  0.739072  0.670238  1
  H  H328  1  0.656488  0.066513  0.692753  1
  H  H329  1  0.668256  0.405738  0.670238  1
  H  H330  1  0.655667  0.734422  0.682158  1
  H  H331  1  1.001590  0.072405  0.670238  1
  H  H332  1  0.989001  0.401089  0.682158  1
  H  H333  1  0.322334  0.067756  0.682158  1
  H  H334  1  0.111193  0.646795  0.717657  1
  H  H335  1  0.444526  0.313462  0.717657  1
  H  H336  1  0.447336  0.649351  0.695615  1
  H  H337  1  0.777859  0.980129  0.717657  1
  H  H338  1  0.780670  0.316017  0.695615  1
  H  H339  1  0.778503  0.649471  0.704564  1
  H  H340  1  0.114003  0.982684  0.695615  1
  H  H341  1  0.111837  0.316138  0.704564  1
  H  H342  1  0.445170  0.982805  0.704564  1
  H  H343  1  0.967116  0.571210  0.687045  1
  H  H344  1  0.300450  0.237877  0.687045  1
  H  H345  1  0.280779  0.560570  0.702665  1
  H  H346  1  0.633783  0.904544  0.687045  1
  H  H347  1  0.614112  0.227236  0.702665  1
  H  H348  1  0.614609  0.562466  0.716753  1
  H  H349  1  0.947446  0.893903  0.702665  1
  H  H350  1  0.947942  0.229133  0.716753  1
  H  H351  1  0.281276  0.895799  0.716753  1
  H  H352  1  0.832500  0.821138  0.670301  1
  H  H353  1  0.165833  0.487804  0.670301  1
  H  H354  1  0.159551  0.822285  0.683218  1
  H  H355  1  0.499166  0.154471  0.670301  1
  H  H356  1  0.492884  0.488951  0.683218  1
  H  H357  1  0.487417  0.816652  0.700753  1
  H  H358  1  0.826217  0.155618  0.683218  1
  H  H359  1  0.820751  0.483318  0.700753  1
  H  H360  1  0.154084  0.149985  0.700753  1
