# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95875943
_cell_length_b   24.26738229
_cell_length_c   45.93364744
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.93475219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H432
_cell_volume   8760.73508506
_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  0.968902  0.804925  0.298510  1
  H  H2  1  0.468902  0.804925  0.298510  1
  H  H3  1  0.067084  0.134078  0.288035  1
  H  H4  1  0.147722  0.468756  0.282800  1
  H  H5  1  0.567084  0.134078  0.288035  1
  H  H6  1  0.647722  0.468756  0.282800  1
  H  H7  1  0.802565  0.637666  0.290874  1
  H  H8  1  0.302565  0.637666  0.290874  1
  H  H9  1  0.034251  0.966879  0.286287  1
  H  H10  1  0.740442  0.304322  0.297442  1
  H  H11  1  0.534251  0.966879  0.286287  1
  H  H12  1  0.240442  0.304322  0.297442  1
  H  H13  1  0.924096  0.546702  0.277458  1
  H  H14  1  0.424096  0.546702  0.277458  1
  H  H15  1  0.021305  0.874934  0.268252  1
  H  H16  1  0.835166  0.211062  0.280916  1
  H  H17  1  0.521305  0.874934  0.268252  1
  H  H18  1  0.335166  0.211062  0.280916  1
  H  H19  1  0.957912  0.712200  0.279932  1
  H  H20  1  0.457912  0.712200  0.279932  1
  H  H21  1  0.188873  0.040881  0.275386  1
  H  H22  1  0.122917  0.376531  0.267360  1
  H  H23  1  0.688873  0.040881  0.275386  1
  H  H24  1  0.622917  0.376531  0.267360  1
  H  H25  1  0.712345  0.817837  0.323540  1
  H  H26  1  0.212345  0.817837  0.323540  1
  H  H27  1  0.801876  0.144223  0.314683  1
  H  H28  1  0.888467  0.477195  0.309381  1
  H  H29  1  0.301876  0.144223  0.314683  1
  H  H30  1  0.388467  0.477195  0.309381  1
  H  H31  1  0.546783  0.647757  0.316775  1
  H  H32  1  0.046783  0.647757  0.316775  1
  H  H33  1  0.780243  0.977153  0.312249  1
  H  H34  1  0.485073  0.317169  0.322672  1
  H  H35  1  0.280243  0.977153  0.312249  1
  H  H36  1  0.985073  0.317169  0.322672  1
  H  H37  1  0.665416  0.559586  0.302701  1
  H  H38  1  0.165416  0.559586  0.302701  1
  H  H39  1  0.760340  0.888785  0.293110  1
  H  H40  1  0.576715  0.227193  0.306080  1
  H  H41  1  0.260340  0.888785  0.293110  1
  H  H42  1  0.076715  0.227193  0.306080  1
  H  H43  1  0.695678  0.729054  0.305128  1
  H  H44  1  0.195678  0.729054  0.305128  1
  H  H45  1  0.923078  0.057137  0.300583  1
  H  H46  1  0.872970  0.388345  0.292139  1
  H  H47  1  0.423078  0.057137  0.300583  1
  H  H48  1  0.372970  0.388345  0.292139  1
  H  H49  1  0.451949  0.827414  0.349041  1
  H  H50  1  0.951949  0.827414  0.349041  1
  H  H51  1  0.540717  0.155599  0.338799  1
  H  H52  1  0.626896  0.489109  0.333995  1
  H  H53  1  0.040717  0.155599  0.338799  1
  H  H54  1  0.126896  0.489109  0.333995  1
  H  H55  1  0.286373  0.659148  0.341412  1
  H  H56  1  0.786373  0.659148  0.341412  1
  H  H57  1  0.520664  0.988544  0.336791  1
  H  H58  1  0.234770  0.326940  0.348118  1
  H  H59  1  0.020664  0.988544  0.336791  1
  H  H60  1  0.734770  0.326940  0.348118  1
  H  H61  1  0.406565  0.569918  0.327990  1
  H  H62  1  0.906565  0.569918  0.327990  1
  H  H63  1  0.498557  0.896962  0.318960  1
  H  H64  1  0.322566  0.235402  0.332074  1
  H  H65  1  -0.001443  0.896962  0.318960  1
  H  H66  1  0.822566  0.235402  0.332074  1
  H  H67  1  0.432115  0.736371  0.331113  1
  H  H68  1  0.932115  0.736371  0.331113  1
  H  H69  1  0.661813  0.066568  0.325816  1
  H  H70  1  0.623206  0.398027  0.317740  1
  H  H71  1  0.161813  0.066568  0.325816  1
  H  H72  1  0.123206  0.398027  0.317740  1
  H  H73  1  0.190557  0.838609  0.373876  1
  H  H74  1  0.690557  0.838609  0.373876  1
  H  H75  1  0.278543  0.165773  0.363993  1
  H  H76  1  0.364039  0.499648  0.359041  1
  H  H77  1  0.778543  0.165773  0.363993  1
  H  H78  1  0.864039  0.499648  0.359041  1
  H  H79  1  0.026371  0.669160  0.366668  1
  H  H80  1  0.526371  0.669160  0.366668  1
  H  H81  1  0.260138  0.999233  0.361857  1
  H  H82  1  0.986372  0.338003  0.373220  1
  H  H83  1  0.760138  0.999233  0.361857  1
  H  H84  1  0.486372  0.338003  0.373220  1
  H  H85  1  0.147181  0.580733  0.352817  1
  H  H86  1  0.647181  0.580733  0.352817  1
  H  H87  1  0.236982  0.907739  0.343478  1
  H  H88  1  0.064473  0.246970  0.356642  1
  H  H89  1  0.736982  0.907739  0.343478  1
  H  H90  1  0.564473  0.246970  0.356642  1
  H  H91  1  0.168692  0.747779  0.355419  1
  H  H92  1  0.668692  0.747779  0.355419  1
  H  H93  1  0.400671  0.077156  0.350621  1
  H  H94  1  0.371420  0.407793  0.342616  1
  H  H95  1  0.900671  0.077156  0.350621  1
  H  H96  1  0.871420  0.407793  0.342616  1
  H  H97  1  0.929453  0.849404  0.398873  1
  H  H98  1  0.429453  0.849404  0.398873  1
  H  H99  1  0.016866  0.176926  0.388543  1
  H  H100  1  0.100384  0.510639  0.383997  1
  H  H101  1  0.516866  0.176926  0.388543  1
  H  H102  1  0.600384  0.510639  0.383997  1
  H  H103  1  0.765119  0.680005  0.391486  1
  H  H104  1  0.265119  0.680005  0.391486  1
  H  H105  1  -0.000661  1.009999  0.386763  1
  H  H106  1  0.739536  0.349215  0.398385  1
  H  H107  1  0.499339  1.009999  0.386763  1
  H  H108  1  0.239536  0.349215  0.398385  1
  H  H109  1  0.886012  0.591451  0.377822  1
  H  H110  1  0.386012  0.591451  0.377822  1
  H  H111  1  0.975085  0.918796  0.368194  1
  H  H112  1  0.804265  0.257475  0.381965  1
  H  H113  1  0.475085  0.918796  0.368194  1
  H  H114  1  0.304265  0.257475  0.381965  1
  H  H115  1  0.905874  0.758068  0.380381  1
  H  H116  1  0.405874  0.758068  0.380381  1
  H  H117  1  0.138806  0.088085  0.375325  1
  H  H118  1  0.121506  0.419137  0.367460  1
  H  H119  1  0.638806  0.088085  0.375325  1
  H  H120  1  0.621506  0.419137  0.367460  1
  H  H121  1  0.668340  0.860191  0.423837  1
  H  H122  1  0.168340  0.860191  0.423837  1
  H  H123  1  0.754917  0.187630  0.413605  1
  H  H124  1  0.836841  0.521226  0.409201  1
  H  H125  1  0.254917  0.187630  0.413605  1
  H  H126  1  0.336841  0.521226  0.409201  1
  H  H127  1  0.503743  0.690706  0.416543  1
  H  H128  1  0.003743  0.690706  0.416543  1
  H  H129  1  0.737917  0.020893  0.411706  1
  H  H130  1  0.493665  0.359969  0.423714  1
  H  H131  1  0.237917  0.020893  0.411706  1
  H  H132  1  -0.006335  0.359969  0.423714  1
  H  H133  1  0.624792  0.601982  0.402990  1
  H  H134  1  0.124792  0.601982  0.402990  1
  H  H135  1  0.713801  0.929490  0.393003  1
  H  H136  1  0.542709  0.268378  0.407023  1
  H  H137  1  0.213801  0.929490  0.393003  1
  H  H138  1  0.042709  0.268378  0.407023  1
  H  H139  1  0.644048  0.768859  0.405099  1
  H  H140  1  0.144048  0.768859  0.405099  1
  H  H141  1  0.877399  0.098806  0.400272  1
  H  H142  1  0.873971  0.429656  0.392649  1
  H  H143  1  0.377399  0.098806  0.400272  1
  H  H144  1  0.373971  0.429656  0.392649  1
  H  H145  1  0.407127  0.871031  0.448760  1
  H  H146  1  0.907127  0.871031  0.448760  1
  H  H147  1  0.492935  0.198524  0.438500  1
  H  H148  1  0.573381  0.532063  0.434368  1
  H  H149  1  -0.007065  0.198524  0.438500  1
  H  H150  1  0.073381  0.532063  0.434368  1
  H  H151  1  0.242343  0.701572  0.441447  1
  H  H152  1  0.742343  0.701572  0.441447  1
  H  H153  1  0.476673  0.031717  0.436630  1
  H  H154  1  0.247183  0.370773  0.449038  1
  H  H155  1  0.976673  0.031717  0.436630  1
  H  H156  1  0.747183  0.370773  0.449038  1
  H  H157  1  0.362926  0.612786  0.428002  1
  H  H158  1  0.862926  0.612786  0.428002  1
  H  H159  1  0.452449  0.940324  0.417926  1
  H  H160  1  0.279588  0.279368  0.432152  1
  H  H161  1  0.952449  0.940324  0.417926  1
  H  H162  1  0.779588  0.279368  0.432152  1
  H  H163  1  0.382621  0.779620  0.430045  1
  H  H164  1  0.882621  0.779620  0.430045  1
  H  H165  1  0.615755  0.109796  0.425126  1
  H  H166  1  0.627610  0.440509  0.417821  1
  H  H167  1  0.115755  0.109796  0.425126  1
  H  H168  1  0.127610  0.440509  0.417821  1
  H  H169  1  0.145907  0.881881  0.473676  1
  H  H170  1  0.645907  0.881881  0.473676  1
  H  H171  1  0.231554  0.209171  0.463476  1
  H  H172  1  0.310672  0.542899  0.459517  1
  H  H173  1  0.731554  0.209171  0.463476  1
  H  H174  1  0.810672  0.542899  0.459517  1
  H  H175  1  0.981049  0.712368  0.466445  1
  H  H176  1  0.481049  0.712368  0.466445  1
  H  H177  1  0.215380  0.042532  0.461520  1
  H  H178  1  -0.000319  0.381515  0.474329  1
  H  H179  1  0.715380  0.042532  0.461520  1
  H  H180  1  0.499681  0.381515  0.474329  1
  H  H181  1  0.101103  0.623617  0.453013  1
  H  H182  1  0.601103  0.623617  0.453013  1
  H  H183  1  0.191378  0.951129  0.442815  1
  H  H184  1  0.016280  0.289922  0.457313  1
  H  H185  1  0.691378  0.951129  0.442815  1
  H  H186  1  0.516280  0.289922  0.457313  1
  H  H187  1  0.121329  0.790412  0.454957  1
  H  H188  1  0.621329  0.790412  0.454957  1
  H  H189  1  0.354395  0.120483  0.450073  1
  H  H190  1  0.381761  0.451251  0.443057  1
  H  H191  1  0.854395  0.120483  0.450073  1
  H  H192  1  0.881761  0.451251  0.443057  1
  H  H193  1  0.884657  0.892718  0.498590  1
  H  H194  1  0.384657  0.892718  0.498590  1
  H  H195  1  0.970134  0.219766  0.488509  1
  H  H196  1  0.049126  0.553510  0.484633  1
  H  H197  1  0.470134  0.219766  0.488509  1
  H  H198  1  0.549126  0.553510  0.484633  1
  H  H199  1  0.720051  0.723184  0.491339  1
  H  H200  1  0.220051  0.723184  0.491339  1
  H  H201  1  0.954047  0.053334  0.486459  1
  H  H202  1  0.750632  0.392212  0.499535  1
  H  H203  1  0.454047  0.053334  0.486459  1
  H  H204  1  0.250632  0.392212  0.499535  1
  H  H205  1  0.839835  0.634353  0.477986  1
  H  H206  1  0.339835  0.634353  0.477986  1
  H  H207  1  0.930236  0.961949  0.467742  1
  H  H208  1  0.753280  0.300654  0.482361  1
  H  H209  1  0.430236  0.961949  0.467742  1
  H  H210  1  0.253280  0.300654  0.482361  1
  H  H211  1  0.860122  0.801283  0.479870  1
  H  H212  1  0.360122  0.801283  0.479870  1
  H  H213  1  0.092997  0.131266  0.474989  1
  H  H214  1  0.134666  0.462123  0.468129  1
  H  H215  1  0.592997  0.131266  0.474989  1
  H  H216  1  0.634666  0.462123  0.468129  1
  H  H217  1  0.623621  0.903581  0.523499  1
  H  H218  1  0.123621  0.903581  0.523499  1
  H  H219  1  0.708693  0.230539  0.513478  1
  H  H220  1  0.788411  0.564091  0.509700  1
  H  H221  1  0.208693  0.230539  0.513478  1
  H  H222  1  0.288411  0.564091  0.509700  1
  H  H223  1  0.459204  0.734072  0.516240  1
  H  H224  1  0.959204  0.734072  0.516240  1
  H  H225  1  0.692842  0.064106  0.511380  1
  H  H226  1  0.499412  0.402843  0.524593  1
  H  H227  1  0.192842  0.064106  0.511380  1
  H  H228  1  -0.000588  0.402843  0.524593  1
  H  H229  1  0.579221  0.645124  0.502909  1
  H  H230  1  0.079221  0.645124  0.502909  1
  H  H231  1  0.669126  0.972791  0.492659  1
  H  H232  1  0.491231  0.311467  0.507322  1
  H  H233  1  0.169126  0.972791  0.492659  1
  H  H234  1  -0.008769  0.311467  0.507322  1
  H  H235  1  0.599107  0.812137  0.504776  1
  H  H236  1  0.099107  0.812137  0.504776  1
  H  H237  1  0.831501  0.141995  0.499947  1
  H  H238  1  0.885320  0.472884  0.493132  1
  H  H239  1  0.331501  0.141995  0.499947  1
  H  H240  1  0.385320  0.472884  0.493132  1
  H  H241  1  0.362568  0.914443  0.548440  1
  H  H242  1  0.862568  0.914443  0.548440  1
  H  H243  1  0.447459  0.241490  0.538364  1
  H  H244  1  0.528547  0.574921  0.534692  1
  H  H245  1  0.947459  0.241490  0.538364  1
  H  H246  1  0.028547  0.574921  0.534692  1
  H  H247  1  0.198563  0.745021  0.541084  1
  H  H248  1  0.698563  0.745021  0.541084  1
  H  H249  1  0.431564  0.074984  0.536314  1
  H  H250  1  0.245860  0.413725  0.549499  1
  H  H251  1  0.931564  0.074984  0.536314  1
  H  H252  1  0.745860  0.413725  0.549499  1
  H  H253  1  0.318946  0.655937  0.527803  1
  H  H254  1  0.818946  0.655937  0.527803  1
  H  H255  1  0.407812  0.983617  0.517581  1
  H  H256  1  0.230286  0.322218  0.532196  1
  H  H257  1  0.907812  0.983617  0.517581  1
  H  H258  1  0.730286  0.322218  0.532196  1
  H  H259  1  0.338114  0.823019  0.529699  1
  H  H260  1  0.838114  0.823019  0.529699  1
  H  H261  1  0.570295  0.152812  0.524868  1
  H  H262  1  0.633665  0.483714  0.518056  1
  H  H263  1  0.070295  0.152812  0.524868  1
  H  H264  1  0.133665  0.483714  0.518056  1
  H  H265  1  0.101575  0.925280  0.573329  1
  H  H266  1  0.601575  0.925280  0.573329  1
  H  H267  1  0.186512  0.252393  0.563294  1
  H  H268  1  0.269357  0.585830  0.559574  1
  H  H269  1  0.686512  0.252393  0.563294  1
  H  H270  1  0.769357  0.585830  0.559574  1
  H  H271  1  0.938094  0.755867  0.565983  1
  H  H272  1  0.438094  0.755867  0.565983  1
  H  H273  1  0.170264  0.085794  0.561219  1
  H  H274  1  -0.009448  0.424673  0.574298  1
  H  H275  1  0.670264  0.085794  0.561219  1
  H  H276  1  0.490552  0.424673  0.574298  1
  H  H277  1  0.059097  0.666874  0.552628  1
  H  H278  1  0.559097  0.666874  0.552628  1
  H  H279  1  0.146557  0.994492  0.542516  1
  H  H280  1  0.969759  0.333196  0.556924  1
  H  H281  1  0.646557  0.994492  0.542516  1
  H  H282  1  0.469759  0.333196  0.556924  1
  H  H283  1  0.077241  0.833905  0.554585  1
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