# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65587331
_cell_length_b   12.65909050
_cell_length_c   47.50493609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4604.00706135
_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  0.823942  0.183387  0.289947  1
  H  H2  1  0.815330  0.801911  0.305142  1
  H  H3  1  0.821881  0.433289  0.319950  1
  H  H4  1  0.571581  1.115667  0.313211  1
  H  H5  1  0.575666  0.757662  0.332807  1
  H  H6  1  0.565425  0.493723  0.297998  1
  H  H7  1  0.318141  0.195419  0.293855  1
  H  H8  1  0.333120  0.821217  0.308570  1
  H  H9  1  0.329294  0.470434  0.329256  1
  H  H10  1  0.066841  1.142033  0.317337  1
  H  H11  1  0.075862  0.883537  0.287701  1
  H  H12  1  0.086589  0.509203  0.301867  1
  H  H13  1  0.819998  0.257662  0.332807  1
  H  H14  1  0.830238  0.993723  0.297998  1
  H  H15  1  0.824082  0.615667  0.313211  1
  H  H16  1  0.580334  0.301911  0.305142  1
  H  H17  1  0.573782  0.933289  0.319950  1
  H  H18  1  0.571722  0.683387  0.289947  1
  H  H19  1  0.319801  0.383537  0.287701  1
  H  H20  1  0.309074  1.009203  0.301867  1
  H  H21  1  0.328822  0.642033  0.317337  1
  H  H22  1  0.062543  0.321217  0.308570  1
  H  H23  1  0.066370  0.970434  0.329256  1
  H  H24  1  0.077522  0.695419  0.293855  1
  H  H25  1  0.818356  1.079166  0.339652  1
  H  H26  1  0.828065  0.715449  0.354067  1
  H  H27  1  0.825614  0.359964  0.371158  1
  H  H28  1  0.568236  1.035645  0.361312  1
  H  H29  1  0.573787  0.680429  0.379029  1
  H  H30  1  0.578474  0.396053  0.346382  1
  H  H31  1  0.319155  1.111574  0.342204  1
  H  H32  1  0.321566  0.750662  0.357714  1
  H  H33  1  0.323771  0.393317  0.374551  1
  H  H34  1  0.070419  1.074899  0.367356  1
  H  H35  1  0.072071  0.792209  0.334238  1
  H  H36  1  0.070613  0.428775  0.349170  1
  H  H37  1  0.821876  0.180429  0.379029  1
  H  H38  1  0.817189  0.896053  0.346382  1
  H  H39  1  0.827427  0.535645  0.361312  1
  H  H40  1  0.567599  0.215449  0.354067  1
  H  H41  1  0.570049  0.859964  0.371158  1
  H  H42  1  0.577307  0.579166  0.339652  1
  H  H43  1  0.323592  0.292209  0.334238  1
  H  H44  1  0.325050  0.928775  0.349170  1
  H  H45  1  0.325245  0.574899  0.367356  1
  H  H46  1  0.074098  0.250662  0.357714  1
  H  H47  1  0.071892  0.893317  0.374551  1
  H  H48  1  0.076508  0.611574  0.342204  1
  H  H49  1  0.820330  0.998726  0.386010  1
  H  H50  1  0.824934  0.638480  0.401783  1
  H  H51  1  0.823279  0.281665  0.418669  1
  H  H52  1  0.571359  0.960985  0.410595  1
  H  H53  1  0.573837  0.600714  0.426099  1
  H  H54  1  0.572657  0.318415  0.394037  1
  H  H55  1  0.322562  1.032470  0.389764  1
  H  H56  1  0.323958  0.676253  0.406837  1
  H  H57  1  0.323443  0.316108  0.422368  1
  H  H58  1  0.071434  0.996064  0.414365  1
  H  H59  1  0.074303  0.713437  0.382402  1
  H  H60  1  0.073682  0.353937  0.398143  1
  H  H61  1  0.821827  1.100714  0.426099  1
  H  H62  1  0.823006  0.818415  0.394037  1
  H  H63  1  0.824305  0.460985  0.410595  1
  H  H64  1  0.570729  1.138480  0.401783  1
  H  H65  1  0.572384  0.781665  0.418669  1
  H  H66  1  0.575334  0.498726  0.386010  1
  H  H67  1  0.321360  0.213437  0.382402  1
  H  H68  1  0.321981  0.853937  0.398143  1
  H  H69  1  0.324230  0.496064  0.414365  1
  H  H70  1  0.071705  0.176253  0.406837  1
  H  H71  1  0.072221  0.816108  0.422368  1
  H  H72  1  0.073101  0.532470  0.389764  1
  H  H73  1  0.822713  0.920901  0.434109  1
  H  H74  1  0.823858  0.562683  0.450410  1
  H  H75  1  0.822831  0.203147  0.466180  1
  H  H76  1  0.572098  0.883345  0.458479  1
  H  H77  1  0.572898  0.523431  0.474126  1
  H  H78  1  0.572127  0.241212  0.442022  1
  H  H79  1  0.322384  0.957028  0.438259  1
  H  H80  1  0.323630  0.598431  0.454356  1
  H  H81  1  0.323525  0.238851  0.470233  1
  H  H82  1  0.072163  0.918648  0.462305  1
  H  H83  1  0.072547  0.635900  0.430095  1
  H  H84  1  0.072763  0.278322  0.446604  1
  H  H85  1  0.822766  1.023431  0.474126  1
  H  H86  1  0.823536  0.741212  0.442022  1
  H  H87  1  0.823566  0.383345  0.458479  1
  H  H88  1  0.571806  1.062683  0.450410  1
  H  H89  1  0.572833  0.703147  0.466180  1
  H  H90  1  0.572951  0.420901  0.434109  1
  H  H91  1  0.323116  1.135900  0.430095  1
  H  H92  1  0.322900  0.778322  0.446604  1
  H  H93  1  0.323500  0.418648  0.462305  1
  H  H94  1  0.072033  1.098431  0.454356  1
  H  H95  1  0.072138  0.738851  0.470233  1
  H  H96  1  0.073280  0.457028  0.438259  1
  H  H97  1  0.823162  0.843995  0.482147  1
  H  H98  1  0.823547  0.485495  0.498367  1
  H  H99  1  0.822869  1.125879  0.514097  1
  H  H100  1  0.572517  0.805611  0.506231  1
  H  H101  1  0.572842  0.446721  0.522238  1
  H  H102  1  0.572157  1.165007  0.490346  1
  H  H103  1  0.322869  0.880638  0.486504  1
  H  H104  1  0.323547  0.521022  0.502235  1
  H  H105  1  0.323162  1.162522  0.518455  1
  H  H106  1  0.072157  0.841510  0.510255  1
  H  H107  1  0.072842  0.559796  0.478364  1
  H  H108  1  0.072517  0.200905  0.494371  1
  H  H109  1  0.822821  0.946721  0.522238  1
  H  H110  1  0.823507  0.665007  0.490346  1
  H  H111  1  0.823147  0.305611  0.506231  1
  H  H112  1  0.572116  0.985495  0.498367  1
  H  H113  1  0.572794  0.625879  0.514097  1
  H  H114  1  0.572501  0.343995  0.482147  1
  H  H115  1  0.322821  1.059796  0.478364  1
  H  H116  1  0.323147  0.700905  0.494371  1
  H  H117  1  0.323507  0.341510  0.510255  1
  H  H118  1  0.072116  1.021022  0.502235  1
  H  H119  1  0.072501  0.662522  0.518455  1
  H  H120  1  0.072794  0.380638  0.486504  1
  H  H121  1  0.823525  0.767665  0.530369  1
  H  H122  1  0.823630  0.408086  0.546246  1
  H  H123  1  0.822384  1.049489  0.562343  1
  H  H124  1  0.572763  0.728195  0.553997  1
  H  H125  1  0.572547  0.370617  0.570506  1
  H  H126  1  0.572163  1.087869  0.538297  1
  H  H127  1  0.322831  0.803370  0.534421  1
  H  H128  1  0.323858  0.443834  0.550191  1
  H  H129  1  0.322713  1.085616  0.566493  1
  H  H130  1  0.072127  0.765305  0.558579  1
  H  H131  1  0.072898  0.483086  0.526475  1
  H  H132  1  0.072098  1.123172  0.542123  1
  H  H133  1  0.823116  0.870617  0.570506  1
  H  H134  1  0.823500  0.587869  0.538297  1
  H  H135  1  0.822900  0.228195  0.553997  1
  H  H136  1  0.572033  0.908086  0.546246  1
  H  H137  1  0.573280  0.549489  0.562343  1
  H  H138  1  0.572138  0.267665  0.530369  1
  H  H139  1  0.322766  0.983086  0.526475  1
  H  H140  1  0.323566  0.623172  0.542123  1
  H  H141  1  0.323536  0.265305  0.558579  1
  H  H142  1  0.071806  0.943834  0.550191  1
  H  H143  1  0.072951  0.585616  0.566493  1
  H  H144  1  0.072833  0.303370  0.534421  1
  H  H145  1  0.823443  0.690409  0.578234  1
  H  H146  1  0.823958  0.330264  0.593765  1
  H  H147  1  0.822562  0.974047  0.610837  1
  H  H148  1  0.573682  0.652580  0.602459  1
  H  H149  1  0.574303  0.293080  0.618199  1
  H  H150  1  0.571434  1.010453  0.586237  1
  H  H151  1  0.323279  0.724852  0.581932  1
  H  H152  1  0.324934  0.368037  0.598818  1
  H  H153  1  0.320330  1.007790  0.614591  1
  H  H154  1  0.072657  0.688101  0.606564  1
  H  H155  1  0.073837  0.405802  0.574503  1
  H  H156  1  0.071359  1.045532  0.590006  1
  H  H157  1  0.821360  0.793080  0.618199  1
  H  H158  1  0.824230  0.510453  0.586237  1
  H  H159  1  0.821981  1.152580  0.602459  1
  H  H160  1  0.571705  0.830264  0.593765  1
  H  H161  1  0.573101  0.474047  0.610837  1
  H  H162  1  0.572221  0.190409  0.578234  1
  H  H163  1  0.321827  0.905802  0.574503  1
  H  H164  1  0.324305  0.545532  0.590006  1
  H  H165  1  0.323006  0.188101  0.606564  1
  H  H166  1  0.070729  0.868037  0.598818  1
  H  H167  1  0.075334  0.507790  0.614591  1
  H  H168  1  0.072384  0.224852  0.581932  1
  H  H169  1  0.823771  0.613200  0.626051  1
  H  H170  1  0.821566  0.255855  0.642887  1
  H  H171  1  0.819155  0.894943  0.658398  1
  H  H172  1  0.570613  0.577742  0.651431  1
  H  H173  1  0.572071  0.214307  0.666363  1
  H  H174  1  0.570419  0.931618  0.633245  1
  H  H175  1  0.325614  0.646553  0.629444  1
  H  H176  1  0.328065  0.291068  0.646535  1
  H  H177  1  0.318356  0.927351  0.660950  1
  H  H178  1  0.078474  0.610464  0.654220  1
  H  H179  1  0.073787  0.326088  0.621573  1
  H  H180  1  0.068236  0.970871  0.639290  1
  H  H181  1  0.823592  0.714307  0.666363  1
  H  H182  1  0.825245  0.431618  0.633245  1
  H  H183  1  0.825050  1.077742  0.651431  1
  H  H184  1  0.574098  0.755855  0.642887  1
  H  H185  1  0.576508  0.394943  0.658398  1
  H  H186  1  0.571892  1.113200  0.626051  1
  H  H187  1  0.321876  0.826088  0.621573  1
  H  H188  1  0.327427  0.470871  0.639290  1
  H  H189  1  0.317189  1.110464  0.654220  1
  H  H190  1  0.067599  0.791068  0.646535  1
  H  H191  1  0.077307  0.427351  0.660950  1
  H  H192  1  0.070049  1.146553  0.629444  1
  H  H193  1  0.829294  0.536082  0.671345  1
  H  H194  1  0.833120  0.185300  0.692031  1
  H  H195  1  0.818141  0.811097  0.706747  1
  H  H196  1  0.586589  0.497314  0.698735  1
  H  H197  1  0.575862  1.122980  0.712901  1
  H  H198  1  0.566841  0.864484  0.683265  1
  H  H199  1  0.321881  0.573228  0.680651  1
  H  H200  1  0.315330  0.204606  0.695460  1
  H  H201  1  0.323942  0.823130  0.710654  1
  H  H202  1  0.065425  0.512794  0.702603  1
  H  H203  1  0.075666  0.248855  0.667794  1
  H  H204  1  0.071581  0.890850  0.687390  1
  H  H205  1  0.819801  0.622980  0.712901  1
  H  H206  1  0.828822  0.364484  0.683265  1
  H  H207  1  0.809074  0.997314  0.698735  1
  H  H208  1  0.562543  0.685300  0.692031  1
  H  H209  1  0.577522  0.311097  0.706747  1
  H  H210  1  0.566370  1.036082  0.671345  1
  H  H211  1  0.319998  0.748855  0.667794  1
  H  H212  1  0.324082  0.390850  0.687390  1
  H  H213  1  0.330238  1.012794  0.702603  1
  H  H214  1  0.080334  0.704606  0.695460  1
  H  H215  1  0.071722  0.323130  0.710654  1
  H  H216  1  0.073782  1.073228  0.680651  1
