# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.72779519
_cell_length_b   20.47851620
_cell_length_c   47.13730362
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H576
_cell_volume   11145.3366634
_cell_formula_units_Z   288
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  0.887865  0.638447  0.301252  1
  H  H2  1  0.557222  0.474531  0.303662  1
  H  H3  1  0.501602  0.628216  0.321829  1
  H  H4  1  0.887378  0.138655  0.301287  1
  H  H5  1  0.835997  0.295400  0.322114  1
  H  H6  1  0.939504  0.491701  0.283274  1
  H  H7  1  0.220098  0.304417  0.300895  1
  H  H8  1  0.169152  0.461794  0.322373  1
  H  H9  1  0.276777  0.656234  0.282991  1
  H  H10  1  0.557659  0.975387  0.303678  1
  H  H11  1  0.503289  0.127860  0.322094  1
  H  H12  1  0.604635  0.322076  0.283874  1
  H  H13  1  0.834954  0.795545  0.322309  1
  H  H14  1  0.941171  0.991168  0.283267  1
  H  H15  1  0.222422  0.808653  0.303653  1
  H  H16  1  0.168916  0.961501  0.322186  1
  H  H17  1  0.269370  0.158708  0.283612  1
  H  H18  1  0.604297  0.822997  0.283753  1
  H  H19  1  0.129501  0.749960  0.274178  1
  H  H20  1  0.645059  0.539090  0.331694  1
  H  H21  1  0.745558  0.730884  0.292961  1
  H  H22  1  0.976656  0.205160  0.331225  1
  H  H23  1  0.078576  0.398015  0.293043  1
  H  H24  1  0.031228  0.551274  0.312849  1
  H  H25  1  0.464502  0.414976  0.274467  1
  H  H26  1  0.414677  0.562170  0.292383  1
  H  H27  1  0.362119  0.718392  0.312505  1
  H  H28  1  0.645574  0.039234  0.331679  1
  H  H29  1  0.747960  0.230976  0.292489  1
  H  H30  1  0.694430  0.385134  0.313202  1
  H  H31  1  0.078910  0.896221  0.292522  1
  H  H32  1  0.031198  0.051280  0.312994  1
  H  H33  1  0.465101  0.917604  0.274074  1
  H  H34  1  0.414569  0.063163  0.291959  1
  H  H35  1  0.362790  0.218163  0.313624  1
  H  H36  1  0.694427  0.885214  0.313184  1
  H  H37  1  0.937377  0.739563  0.283844  1
  H  H38  1  0.607233  0.574479  0.283285  1
  H  H39  1  0.552885  0.721939  0.301291  1
  H  H40  1  0.942625  0.240367  0.283001  1
  H  H41  1  0.889012  0.391801  0.303821  1
  H  H42  1  0.835942  0.544652  0.322042  1
  H  H43  1  0.269248  0.408133  0.283740  1
  H  H44  1  0.221773  0.554270  0.300744  1
  H  H45  1  0.169236  0.712117  0.322100  1
  H  H46  1  0.610510  0.072515  0.283004  1
  H  H47  1  0.556937  0.224897  0.303806  1
  H  H48  1  0.502254  0.377849  0.322346  1
  H  H49  1  0.889655  0.891442  0.303814  1
  H  H50  1  0.835629  0.044928  0.321823  1
  H  H51  1  0.268926  0.909480  0.283457  1
  H  H52  1  0.221977  0.054796  0.300829  1
  H  H53  1  0.168290  0.212125  0.322279  1
  H  H54  1  0.502678  0.878721  0.322310  1
  H  H55  1  0.081427  0.647503  0.292654  1
  H  H56  1  0.746884  0.479799  0.292277  1
  H  H57  1  0.697333  0.634655  0.312930  1
  H  H58  1  0.079594  0.147573  0.293199  1
  H  H59  1  0.029044  0.301512  0.312668  1
  H  H60  1  0.978211  0.455983  0.331922  1
  H  H61  1  0.412093  0.312440  0.292431  1
  H  H62  1  0.363003  0.468008  0.313588  1
  H  H63  1  0.310121  0.621338  0.330829  1
  H  H64  1  0.748263  0.979083  0.292153  1
  H  H65  1  0.696278  0.134994  0.312465  1
  H  H66  1  0.796241  0.333855  0.274006  1
  H  H67  1  0.027515  0.801732  0.313282  1
  H  H68  1  0.978424  0.955801  0.331799  1
  H  H69  1  0.411591  0.815118  0.292563  1
  H  H70  1  0.363360  0.968629  0.313470  1
  H  H71  1  0.464027  0.166180  0.274383  1
  H  H72  1  0.797292  0.833482  0.274073  1
  H  H73  1  0.737911  0.603884  0.359625  1
  H  H74  1  0.404093  0.436832  0.359624  1
  H  H75  1  0.356183  0.591892  0.377749  1
  H  H76  1  0.737939  0.103976  0.359474  1
  H  H77  1  0.690097  0.258297  0.377966  1
  H  H78  1  0.786393  0.449500  0.340947  1
  H  H79  1  0.070586  0.270469  0.359460  1
  H  H80  1  0.023565  0.424980  0.377934  1
  H  H81  1  0.120907  0.615973  0.340466  1
  H  H82  1  0.404424  0.937301  0.359794  1
  H  H83  1  0.356101  0.091840  0.377810  1
  H  H84  1  0.453967  0.282775  0.340941  1
  H  H85  1  0.690050  0.758309  0.377631  1
  H  H86  1  0.786485  0.949568  0.340910  1
  H  H87  1  0.070803  0.770299  0.359443  1
  H  H88  1  0.023125  0.925122  0.378060  1
  H  H89  1  0.121242  0.115870  0.340641  1
  H  H90  1  0.453694  0.782569  0.340345  1
  H  H91  1  0.977433  0.704968  0.331021  1
  H  H92  1  0.499030  0.502637  0.387274  1
  H  H93  1  0.595446  0.693147  0.349765  1
  H  H94  1  0.832912  0.169135  0.387071  1
  H  H95  1  0.929043  0.359748  0.350340  1
  H  H96  1  0.880087  0.514616  0.368823  1
  H  H97  1  0.310821  0.371116  0.330869  1
  H  H98  1  0.261541  0.526794  0.349969  1
  H  H99  1  0.213703  0.680997  0.368490  1
  H  H100  1  0.499042  0.002649  0.387366  1
  H  H101  1  0.595482  0.192993  0.350346  1
  H  H102  1  0.547300  0.347703  0.368786  1
  H  H103  1  0.928410  0.859938  0.350501  1
  H  H104  1  0.880176  0.014702  0.368719  1
  H  H105  1  0.312067  0.872732  0.331605  1
  H  H106  1  0.261569  0.026760  0.349977  1
  H  H107  1  0.214118  0.181097  0.368446  1
  H  H108  1  0.547110  0.847605  0.368590  1
  H  H109  1  0.787708  0.699261  0.340517  1
  H  H110  1  0.453656  0.532843  0.340961  1
  H  H111  1  0.403961  0.687005  0.359182  1
  H  H112  1  0.787103  0.199196  0.340456  1
  H  H113  1  0.737980  0.353922  0.359604  1
  H  H114  1  0.689566  0.508524  0.378052  1
  H  H115  1  0.120610  0.365701  0.340524  1
  H  H116  1  0.070979  0.520710  0.359766  1
  H  H117  1  0.023162  0.674980  0.377699  1
  H  H118  1  0.453850  0.033088  0.340912  1
  H  H119  1  0.404457  0.186785  0.359547  1
  H  H120  1  0.356481  0.341761  0.377734  1
  H  H121  1  0.737225  0.853783  0.359486  1
  H  H122  1  0.689703  0.008547  0.378078  1
  H  H123  1  0.119909  0.866080  0.340931  1
  H  H124  1  0.071103  0.020548  0.359776  1
  H  H125  1  0.023463  0.175026  0.377703  1
  H  H126  1  0.356770  0.841624  0.377831  1
  H  H127  1  0.928710  0.609813  0.349848  1
  H  H128  1  0.594813  0.443183  0.350465  1
  H  H129  1  0.546837  0.598030  0.368617  1
  H  H130  1  0.929051  0.109815  0.349847  1
  H  H131  1  0.880329  0.264359  0.368628  1
  H  H132  1  0.832874  0.419237  0.387251  1
  H  H133  1  0.261830  0.276743  0.349968  1
  H  H134  1  0.213984  0.431013  0.368545  1
  H  H135  1  0.165795  0.585919  0.387137  1
  H  H136  1  0.594948  0.943378  0.350476  1
  H  H137  1  0.547002  0.097776  0.368814  1
  H  H138  1  0.645740  0.289136  0.331713  1
  H  H139  1  0.880577  0.764320  0.368510  1
  H  H140  1  0.832507  0.919266  0.387273  1
  H  H141  1  0.262233  0.776532  0.350252  1
  H  H142  1  0.213693  0.931194  0.368764  1
  H  H143  1  0.311208  0.121318  0.330744  1
  H  H144  1  0.643784  0.788352  0.331111  1
  H  H145  1  0.594555  0.568095  0.414860  1
  H  H146  1  0.261455  0.401287  0.414794  1
  H  H147  1  0.213680  0.556094  0.433351  1
  H  H148  1  0.594638  0.068001  0.414975  1
  H  H149  1  0.547047  0.222790  0.433414  1
  H  H150  1  0.642352  0.413222  0.396543  1
  H  H151  1  0.928205  0.234561  0.414817  1
  H  H152  1  0.880451  0.389424  0.433425  1
  H  H153  1  0.975169  0.580053  0.396470  1
  H  H154  1  0.261522  0.901248  0.414858  1
  H  H155  1  0.213670  0.056146  0.433402  1
  H  H156  1  0.308831  0.246634  0.396305  1
  H  H157  1  0.546951  0.722738  0.433281  1
  H  H158  1  0.642212  0.913168  0.396515  1
  H  H159  1  0.928108  0.734564  0.414771  1
  H  H160  1  0.880428  0.889356  0.433384  1
  H  H161  1  0.975288  0.080076  0.396445  1
  H  H162  1  0.308909  0.746444  0.396395  1
  H  H163  1  0.832701  0.669216  0.387036  1
  H  H164  1  0.356544  0.466799  0.442585  1
  H  H165  1  0.451619  0.657289  0.405551  1
  H  H166  1  0.689926  0.133466  0.442690  1
  H  H167  1  0.785315  0.323903  0.405672  1
  H  H168  1  0.737603  0.478725  0.424181  1
  H  H169  1  0.166016  0.335827  0.387070  1
  H  H170  1  0.118550  0.490524  0.405707  1
  H  H171  1  0.070829  0.645387  0.424068  1
  H  H172  1  0.356582  0.966767  0.442616  1
  H  H173  1  0.451727  0.157288  0.405682  1
  H  H174  1  0.404161  0.312060  0.424075  1
  H  H175  1  0.785283  0.823813  0.405548  1
  H  H176  1  0.737549  0.978695  0.424200  1
  H  H177  1  0.166064  0.835801  0.387192  1
  H  H178  1  0.118424  0.990594  0.405791  1
  H  H179  1  0.070836  0.145409  0.424095  1
  H  H180  1  0.404309  0.811920  0.424046  1
  H  H181  1  0.641978  0.663376  0.396329  1
  H  H182  1  0.308699  0.496678  0.396346  1
  H  H183  1  0.261299  0.651279  0.414790  1
  H  H184  1  0.642248  0.163191  0.396566  1
  H  H185  1  0.594826  0.317941  0.414912  1
  H  H186  1  0.547049  0.472785  0.433405  1
  H  H187  1  0.975568  0.329854  0.396517  1
  H  H188  1  0.928170  0.484643  0.414897  1
  H  H189  1  0.880300  0.639481  0.433363  1
  H  H190  1  0.308596  0.996710  0.396460  1
  H  H191  1  0.261324  0.151386  0.414802  1
  H  H192  1  0.213726  0.306070  0.433327  1
  H  H193  1  0.594809  0.817814  0.414760  1
  H  H194  1  0.547046  0.972722  0.433427  1
  H  H195  1  0.975660  0.829793  0.396468  1
  H  H196  1  0.928019  0.984700  0.414904  1
  H  H197  1  0.880354  0.139459  0.433390  1
  H  H198  1  0.213769  0.806016  0.433359  1
  H  H199  1  0.784943  0.574013  0.405754  1
  H  H200  1  0.451864  0.407236  0.405663  1
  H  H201  1  0.404060  0.562106  0.424082  1
  H  H202  1  0.785058  0.073978  0.405727  1
  H  H203  1  0.737711  0.228677  0.424145  1
  H  H204  1  0.689986  0.383430  0.442667  1
  H  H205  1  0.118581  0.240507  0.405579  1
  H  H206  1  0.070992  0.395316  0.424134  1
  H  H207  1  0.023259  0.550137  0.442625  1
  H  H208  1  0.451927  0.907160  0.405677  1
  H  H209  1  0.404054  0.062125  0.424140  1
  H  H210  1  0.499324  0.252515  0.387217  1
  H  H211  1  0.737529  0.728678  0.424014  1
  H  H212  1  0.689966  0.883333  0.442606  1
  H  H213  1  0.118559  0.740491  0.405556  1
  H  H214  1  0.070955  0.895307  0.424165  1
  H  H215  1  0.165845  0.085970  0.387183  1
  H  H216  1  0.499376  0.752396  0.386894  1
  H  H217  1  0.451746  0.532241  0.470340  1
  H  H218  1  0.118500  0.365555  0.470359  1
  H  H219  1  0.070867  0.520299  0.488854  1
  H  H220  1  0.451752  0.032232  0.470357  1
  H  H221  1  0.404128  0.187007  0.488841  1
  H  H222  1  0.499439  0.377481  0.451872  1
  H  H223  1  0.785148  0.198927  0.470382  1
  H  H224  1  0.737552  0.353642  0.488879  1
  H  H225  1  0.832816  0.544159  0.451888  1
  H  H226  1  0.118500  0.865502  0.470361  1
  H  H227  1  0.070861  0.020282  0.488853  1
  H  H228  1  0.166112  0.210818  0.451839  1
  H  H229  1  0.404135  0.686947  0.488824  1
  H  H230  1  0.499479  0.877388  0.451835  1
  H  H231  1  0.785090  0.698892  0.470319  1
  H  H232  1  0.737511  0.853569  0.488817  1
  H  H233  1  0.832799  0.044147  0.451895  1
  H  H234  1  0.166119  0.710769  0.451817  1
  H  H235  1  0.689807  0.633510  0.442597  1
  H  H236  1  0.213706  0.431012  0.498105  1
  H  H237  1  0.308902  0.621516  0.461075  1
  H  H238  1  0.546993  0.097687  0.498091  1
  H  H239  1  0.642328  0.288198  0.461134  1
  H  H240  1  0.594653  0.442939  0.479621  1
  H  H241  1  0.023341  0.300064  0.442629  1
  H  H242  1  0.975679  0.454855  0.461123  1
  H  H243  1  0.927993  0.609600  0.479598  1
  H  H244  1  0.213721  0.930963  0.498097  1
  H  H245  1  0.308900  0.121569  0.461098  1
  H  H246  1  0.261294  0.276291  0.479587  1
  H  H247  1  0.642266  0.788121  0.461049  1
  H  H248  1  0.594649  0.942878  0.479593  1
  H  H249  1  0.023317  0.800015  0.442603  1
  H  H250  1  0.975647  0.954826  0.461116  1
  H  H251  1  0.927991  0.109616  0.479614  1
  H  H252  1  0.261315  0.776224  0.479585  1
  H  H253  1  0.499365  0.627494  0.451821  1
  H  H254  1  0.166165  0.460789  0.451868  1
  H  H255  1  0.118454  0.615559  0.470337  1
  H  H256  1  0.499392  0.127518  0.451887  1
  H  H257  1  0.451755  0.282266  0.470353  1
  H  H258  1  0.404151  0.436979  0.488844  1
  H  H259  1  0.832877  0.294130  0.451871  1
  H  H260  1  0.785161  0.448902  0.470392  1
  H  H261  1  0.737493  0.603632  0.488834  1
  H  H262  1  0.166174  0.960772  0.451893  1
  H  H263  1  0.118443  0.115588  0.470357  1
  H  H264  1  0.070855  0.270313  0.488858  1
  H  H265  1  0.451774  0.782184  0.470314  1
  H  H266  1  0.404172  0.936929  0.488833  1
  H  H267  1  0.832801  0.794068  0.451807  1
  H  H268  1  0.785146  0.948843  0.470362  1
  H  H269  1  0.737514  0.103645  0.488862  1
  H  H270  1  0.070867  0.770249  0.488839  1
  H  H271  1  0.642266  0.538218  0.461105  1
  H  H272  1  0.308937  0.371530  0.461084  1
  H  H273  1  0.261308  0.526265  0.479594  1
  H  H274  1  0.642273  0.038184  0.461141  1
  H  H275  1  0.594626  0.192973  0.479624  1
  H  H276  1  0.547018  0.347698  0.498114  1
  H  H277  1  0.975637  0.204864  0.461107  1
  H  H278  1  0.928038  0.359598  0.479626  1
  H  H279  1  0.880397  0.514333  0.498112  1
  H  H280  1  0.308994  0.871460  0.461085  1
  H  H281  1  0.261318  0.026261  0.479605  1
  H  H282  1  0.356519  0.216830  0.442589  1
  H  H283  1  0.594585  0.692926  0.479559  1
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  H  H573  1  0.396151  0.560727  0.683331  1
  H  H574  1  0.348803  0.713985  0.703137  1
  H  H575  1  0.450723  0.906840  0.664955  1
  H  H576  1  0.782320  0.572910  0.664486  1
