# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.23197436
_cell_length_b   13.83296167
_cell_length_c   38.09658971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.14993552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   5388.33886733
_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  0.714192  0.091584  0.400709  1
  H  H2  1  0.249005  0.909264  0.410782  1
  H  H3  1  0.318969  0.076597  0.410138  1
  H  H4  1  0.254341  0.577208  0.410589  1
  H  H5  1  0.310673  0.745347  0.409553  1
  H  H6  1  0.464048  0.873261  0.428954  1
  H  H7  1  0.694860  0.768044  0.400009  1
  H  H8  1  0.844970  0.893682  0.419789  1
  H  H9  1  -0.073285  0.056732  0.419720  1
  H  H10  1  0.705804  0.429092  0.400376  1
  H  H11  1  0.856478  0.558053  0.420407  1
  H  H12  1  -0.090348  0.725823  0.418573  1
  H  H13  1  0.858699  0.224095  0.420424  1
  H  H14  1  -0.081589  0.390489  0.419206  1
  H  H15  1  0.256395  0.242493  0.410514  1
  H  H16  1  0.313277  0.411441  0.409653  1
  H  H17  1  0.645070  0.595456  0.401032  1
  H  H18  1  0.646496  0.258859  0.401157  1
  H  H19  1  0.525857  1.038524  0.430362  1
  H  H20  1  0.057180  0.855249  0.439515  1
  H  H21  1  0.129476  1.023084  0.440927  1
  H  H22  1  0.065008  0.520472  0.439935  1
  H  H23  1  0.118484  0.690387  0.439104  1
  H  H24  1  0.266081  0.818609  0.462445  1
  H  H25  1  0.513883  0.705710  0.430903  1
  H  H26  1  0.661785  0.837977  0.453190  1
  H  H27  1  0.730278  1.003699  0.452204  1
  H  H28  1  0.519046  0.373142  0.430636  1
  H  H29  1  0.666001  0.503209  0.453209  1
  H  H30  1  0.725706  0.671954  0.451620  1
  H  H31  1  0.667305  0.169489  0.453287  1
  H  H32  1  0.729923  0.337241  0.451840  1
  H  H33  1  0.066642  0.187688  0.440235  1
  H  H34  1  0.124535  0.355520  0.439971  1
  H  H35  1  0.460305  0.537664  0.431295  1
  H  H36  1  0.461620  0.204225  0.431557  1
  H  H37  1  0.336522  0.984741  0.461890  1
  H  H38  1  -0.131384  0.800922  0.471817  1
  H  H39  1  -0.062332  0.967357  0.471723  1
  H  H40  1  -0.127320  0.466531  0.472020  1
  H  H41  1  -0.065346  0.634768  0.471172  1
  H  H42  1  0.074458  0.764879  0.491820  1
  H  H43  1  0.328558  0.653115  0.461803  1
  H  H44  1  0.470467  0.783295  0.482503  1
  H  H45  1  0.540648  0.950110  0.482495  1
  H  H46  1  0.332998  0.319173  0.461877  1
  H  H47  1  0.474452  0.448037  0.483047  1
  H  H48  1  0.538544  0.616963  0.481799  1
  H  H49  1  0.475054  0.114518  0.482959  1
  H  H50  1  0.541656  0.283188  0.481888  1
  H  H51  1  -0.127156  0.133257  0.472109  1
  H  H52  1  -0.062208  0.300431  0.471632  1
  H  H53  1  0.269590  0.484287  0.462907  1
  H  H54  1  0.270618  0.151089  0.463041  1
  H  H55  1  0.144507  0.931765  0.491525  1
  H  H56  1  0.676766  0.746137  0.503257  1
  H  H57  1  0.749380  0.913969  0.502826  1
  H  H58  1  0.679988  0.412318  0.503374  1
  H  H59  1  0.748586  0.581085  0.502208  1
  H  H60  1  -0.116127  0.711055  0.522814  1
  H  H61  1  0.142128  0.599227  0.491072  1
  H  H62  1  0.279658  0.728407  0.513280  1
  H  H63  1  0.351601  0.896248  0.512749  1
  H  H64  1  0.144979  0.265286  0.491588  1
  H  H65  1  0.281984  0.394189  0.513442  1
  H  H66  1  0.351795  0.563322  0.512154  1
  H  H67  1  0.282229  0.060633  0.513373  1
  H  H68  1  0.353900  0.229515  0.512354  1
  H  H69  1  0.680068  0.079030  0.503678  1
  H  H70  1  0.750281  0.247158  0.502556  1
  H  H71  1  0.077095  0.430828  0.492221  1
  H  H72  1  0.076761  0.097839  0.492553  1
  H  H73  1  -0.043417  0.878141  0.522352  1
  H  H74  1  0.486409  0.692976  0.533440  1
  H  H75  1  0.559871  0.860794  0.532822  1
  H  H76  1  0.488479  0.359008  0.533674  1
  H  H77  1  0.560452  0.528025  0.532339  1
  H  H78  1  0.694077  0.657137  0.553912  1
  H  H79  1  -0.043882  0.545259  0.522050  1
  H  H80  1  0.090097  0.675235  0.543119  1
  H  H81  1  0.162987  0.843323  0.542519  1
  H  H82  1  -0.042780  0.211567  0.522485  1
  H  H83  1  0.091559  0.341739  0.543407  1
  H  H84  1  0.163830  0.510546  0.542028  1
  H  H85  1  0.091999  1.007976  0.543577  1
  H  H86  1  0.164945  0.176722  0.542364  1
  H  H87  1  0.488244  1.025735  0.533990  1
  H  H88  1  0.561378  0.194290  0.532578  1
  H  H89  1  -0.114209  0.377330  0.523114  1
  H  H90  1  -0.114119  0.043773  0.523361  1
  H  H91  1  0.767756  0.824947  0.553063  1
  H  H92  1  0.297214  0.639462  0.563935  1
  H  H93  1  0.370991  0.807859  0.563088  1
  H  H94  1  0.298361  0.306010  0.564093  1
  H  H95  1  0.371813  0.475033  0.562655  1
  H  H96  1  0.504944  0.604156  0.584334  1
  H  H97  1  0.768053  0.492261  0.552776  1
  H  H98  1  -0.098495  0.622009  0.573957  1
  H  H99  1  -0.024938  0.789863  0.573085  1
  H  H100  1  0.768674  0.158481  0.553152  1
  H  H101  1  -0.097806  0.288507  0.574194  1
  H  H102  1  -0.024307  0.457305  0.572790  1
  H  H103  1  -0.097628  0.954491  0.574313  1
  H  H104  1  -0.023752  0.123266  0.573104  1
  H  H105  1  0.298167  0.972480  0.564403  1
  H  H106  1  0.372121  0.141397  0.562906  1
  H  H107  1  0.695291  0.323617  0.554105  1
  H  H108  1  0.695138  0.989907  0.554363  1
  H  H109  1  0.578829  0.772398  0.583346  1
  H  H110  1  0.108777  0.586742  0.594245  1
  H  H111  1  0.182412  0.754947  0.593214  1
  H  H112  1  0.109236  0.253289  0.594414  1
  H  H113  1  0.182992  0.422421  0.592961  1
  H  H114  1  0.316293  0.551433  0.614701  1
  H  H115  1  0.579279  0.439732  0.583080  1
  H  H116  1  0.712669  0.568818  0.604728  1
  H  H117  1  0.786507  0.736948  0.603685  1
  H  H118  1  0.579512  0.105991  0.583344  1
  H  H119  1  0.712864  0.235138  0.604915  1
  H  H120  1  0.786856  0.404317  0.603421  1
  H  H121  1  0.712949  0.901218  0.605064  1
  H  H122  1  0.787146  0.070138  0.603686  1
  H  H123  1  0.109113  0.919339  0.594659  1
  H  H124  1  0.183111  0.088574  0.593295  1
  H  H125  1  0.505624  0.270627  0.584513  1
  H  H126  1  0.505354  0.936814  0.584766  1
  H  H127  1  0.390104  0.719743  0.613639  1
  H  H128  1  -0.079654  0.533766  0.624914  1
  H  H129  1  -0.005910  0.701836  0.623901  1
  H  H130  1  -0.079793  0.199798  0.625028  1
  H  H131  1  -0.005800  0.369262  0.623565  1
  H  H132  1  0.127794  0.498846  0.645118  1
  H  H133  1  0.390349  0.387075  0.613408  1
  H  H134  1  0.523984  0.516044  0.635178  1
  H  H135  1  0.597748  0.684378  0.634119  1
  H  H136  1  0.390410  0.053304  0.613645  1
  H  H137  1  0.523771  0.182396  0.635307  1
  H  H138  1  0.597692  0.351505  0.633864  1
  H  H139  1  0.523870  0.848492  0.635512  1
  H  H140  1  0.597811  1.017521  0.634027  1
  H  H141  1  -0.079804  0.865921  0.625285  1
  H  H142  1  -0.005682  1.034837  0.623910  1
  H  H143  1  0.316417  0.218060  0.614835  1
  H  H144  1  0.316244  0.884035  0.615060  1
  H  H145  1  0.201498  0.666841  0.644154  1
  H  H146  1  0.731568  0.480636  0.655451  1
  H  H147  1  0.805543  0.648948  0.654431  1
  H  H148  1  0.731071  0.146568  0.655610  1
  H  H149  1  0.804952  0.315761  0.654110  1
  H  H150  1  -0.060628  0.445568  0.675621  1
  H  H151  1  0.201227  0.334164  0.643896  1
  H  H152  1  0.335278  0.463760  0.665360  1
  H  H153  1  0.408891  0.631797  0.664435  1
  H  H154  1  0.201299  0.999932  0.644182  1
  H  H155  1  0.334869  0.130104  0.665437  1
  H  H156  1  0.408153  0.298838  0.664204  1
  H  H157  1  0.335224  0.796250  0.665647  1
  H  H158  1  0.408166  0.964933  0.664368  1
  H  H159  1  0.731115  0.813061  0.655873  1
  H  H160  1  0.805215  0.981769  0.654455  1
  H  H161  1  0.127438  0.165004  0.645259  1
  H  H162  1  0.127617  0.831011  0.645394  1
  H  H163  1  0.012907  0.613662  0.674937  1
  H  H164  1  0.542770  0.427684  0.685895  1
  H  H165  1  0.616561  0.595946  0.684979  1
  H  H166  1  0.542293  0.093853  0.685990  1
  H  H167  1  0.614925  0.262496  0.684711  1
  H  H168  1  0.750405  0.391701  0.705851  1
  H  H169  1  0.011819  0.280699  0.674357  1
  H  H170  1  0.146966  0.411042  0.695737  1
  H  H171  1  0.219397  0.578453  0.695282  1
  H  H172  1  0.012369  0.945875  0.674894  1
  H  H173  1  0.146516  0.076489  0.695885  1
  H  H174  1  0.218203  0.245264  0.694862  1
  H  H175  1  0.146889  0.743580  0.696141  1
  H  H176  1  0.218061  0.910911  0.695287  1
  H  H177  1  0.542328  0.760368  0.686404  1
  H  H178  1  0.615208  0.929413  0.684923  1
  H  H179  1  -0.061376  0.111080  0.675739  1
  H  H180  1  -0.060920  0.777823  0.676212  1
  H  H181  1  0.823847  0.560103  0.705163  1
  H  H182  1  0.354034  0.375681  0.715856  1
  H  H183  1  0.426284  0.543475  0.715075  1
  H  H184  1  0.353625  1.041705  0.715916  1
  H  H185  1  0.423881  0.209950  0.715016  1
  H  H186  1  0.561881  0.338452  0.736505  1
  H  H187  1  0.821610  0.226567  0.704948  1
  H  H188  1  -0.041388  0.356909  0.726000  1
  H  H189  1  0.029612  0.524177  0.726048  1
  H  H190  1  0.822262  0.893209  0.705163  1
  H  H191  1  -0.041667  1.022084  0.726335  1
  H  H192  1  0.027327  0.190801  0.724974  1
  H  H193  1  -0.040366  0.689698  0.727009  1
  H  H194  1  0.027783  0.856961  0.726417  1
  H  H195  1  0.354045  0.708352  0.716242  1
  H  H196  1  0.423828  0.877148  0.715146  1
  H  H197  1  0.749817  0.058158  0.706269  1
  H  H198  1  0.750401  0.724718  0.706493  1
  H  H199  1  0.633283  0.505995  0.735615  1
  H  H200  1  0.165212  0.322318  0.746122  1
  H  H201  1  0.235260  0.489517  0.746532  1
  H  H202  1  0.167127  0.987754  0.746700  1
  H  H203  1  0.231052  0.155843  0.746122  1
  H  H204  1  0.371551  0.286432  0.766252  1
  H  H205  1  0.629183  0.172546  0.735632  1
  H  H206  1  0.768816  0.301796  0.756290  1
  H  H207  1  0.838592  0.468646  0.755724  1
  H  H208  1  0.630551  0.840919  0.735463  1
  H  H209  1  0.770983  0.969146  0.756805  1
  H  H210  1  0.834437  0.136931  0.755916  1
  H  H211  1  0.771623  0.634378  0.756803  1
  H  H212  1  0.836182  0.803503  0.755775  1
  H  H213  1  0.166525  0.655082  0.746973  1
  H  H214  1  0.231851  0.822038  0.746717  1
  H  H215  1  0.561304  1.005237  0.736978  1
  H  H216  1  0.563090  0.671059  0.737113  1
  H  H217  1  0.442994  0.453787  0.765332  1
  H  H218  1  -0.024413  0.266034  0.775943  1
  H  H219  1  0.043935  0.433802  0.778088  1
  H  H220  1  -0.019996  0.933643  0.778411  1
  H  H221  1  0.039487  0.099895  0.775781  1
  H  H222  1  0.181216  0.235176  0.797846  1
  H  H223  1  0.433996  0.119695  0.765605  1
  H  H224  1  0.577517  0.247057  0.787372  1
  H  H225  1  0.651157  0.414513  0.787337  1
  H  H226  1  0.439230  0.787435  0.765174  1
  H  H227  1  0.584229  0.915114  0.788265  1
  H  H228  1  0.641969  0.083009  0.787449  1
  H  H229  1  0.587686  0.579812  0.788454  1
  H  H230  1  0.646049  0.751039  0.786698  1
  H  H231  1  -0.021392  0.598830  0.778065  1
  H  H232  1  0.039831  0.767288  0.779067  1
  H  H233  1  0.372416  0.952519  0.766942  1
  H  H234  1  0.375108  0.618916  0.766769  1
  H  H235  1  0.250981  0.398960  0.798127  1
  H  H236  1  0.780090  0.212839  0.808439  1
  H  H237  1  0.860593  0.375500  0.808529  1
  H  H238  1  0.792147  0.877533  0.808883  1
  H  H239  1  0.850473  0.046673  0.807954  1
  H  H240  1  -0.006060  0.178530  0.827494  1
  H  H241  1  0.238920  0.066354  0.799168  1
  H  H242  1  0.387375  0.196869  0.818227  1
  H  H243  1  0.463817  0.365087  0.817213  1
  H  H244  1  0.249641  0.731335  0.798240  1
  H  H245  1  0.396285  0.860886  0.818286  1
  H  H246  1  0.453392  1.030851  0.817433  1
  H  H247  1  0.394518  0.529731  0.818060  1
  H  H248  1  0.463641  0.696930  0.817152  1
  H  H249  1  0.794493  0.540452  0.809166  1
  H  H250  1  0.848746  0.710309  0.808232  1
  H  H251  1  0.184146  0.899051  0.799496  1
  H  H252  1  0.182235  0.566203  0.799285  1
