# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   30.68308109
_cell_length_b   15.19422465
_cell_length_c   47.23504603
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.08006679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H864
_cell_volume   21533.6081147
_cell_formula_units_Z   432
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  0.536663  0.049696  0.295017  1
  H  H2  1  0.380426  0.983668  0.320658  1
  H  H3  1  0.192900  0.115724  0.269376  1
  H  H4  1  0.203330  0.716363  0.295017  1
  H  H5  1  0.036663  0.049696  0.295017  1
  H  H6  1  0.047093  0.650335  0.320658  1
  H  H7  1  0.859567  0.782391  0.269376  1
  H  H8  1  0.880426  0.983668  0.320658  1
  H  H9  1  0.869996  0.383030  0.295017  1
  H  H10  1  0.692900  0.115724  0.269376  1
  H  H11  1  0.703330  0.716363  0.295017  1
  H  H12  1  0.713759  0.317001  0.320658  1
  H  H13  1  0.526233  0.449058  0.269376  1
  H  H14  1  0.547093  0.650335  0.320658  1
  H  H15  1  0.359567  0.782391  0.269376  1
  H  H16  1  0.369996  0.383030  0.295017  1
  H  H17  1  0.213759  0.317001  0.320658  1
  H  H18  1  0.026233  0.449058  0.269376  1
  H  H19  1  0.544872  0.878904  0.315198  1
  H  H20  1  0.388635  0.812876  0.340839  1
  H  H21  1  0.201109  0.944932  0.289557  1
  H  H22  1  0.211538  0.545570  0.315198  1
  H  H23  1  0.044872  0.878904  0.315198  1
  H  H24  1  0.055301  0.479542  0.340839  1
  H  H25  1  0.867775  0.611599  0.289557  1
  H  H26  1  0.888635  0.812876  0.340839  1
  H  H27  1  0.878205  0.212237  0.315198  1
  H  H28  1  0.701109  0.944932  0.289557  1
  H  H29  1  0.711538  0.545570  0.315198  1
  H  H30  1  0.721968  0.146209  0.340839  1
  H  H31  1  0.534442  0.278265  0.289557  1
  H  H32  1  0.555301  0.479542  0.340839  1
  H  H33  1  0.367775  0.611599  0.289557  1
  H  H34  1  0.378205  0.212237  0.315198  1
  H  H35  1  0.221968  0.146209  0.340839  1
  H  H36  1  0.034442  0.278265  0.289557  1
  H  H37  1  0.528332  0.269104  0.274536  1
  H  H38  1  0.372095  0.203075  0.300177  1
  H  H39  1  0.215858  0.137047  0.325818  1
  H  H40  1  0.194999  0.935770  0.274536  1
  H  H41  1  0.028332  0.269104  0.274536  1
  H  H42  1  0.038762  0.869742  0.300177  1
  H  H43  1  0.882525  0.803714  0.325818  1
  H  H44  1  0.872095  0.203075  0.300177  1
  H  H45  1  0.861666  0.602437  0.274536  1
  H  H46  1  0.715858  0.137047  0.325818  1
  H  H47  1  0.694999  0.935770  0.274536  1
  H  H48  1  0.705429  0.536409  0.300177  1
  H  H49  1  0.549191  0.470381  0.325818  1
  H  H50  1  0.538762  0.869742  0.300177  1
  H  H51  1  0.382525  0.803714  0.325818  1
  H  H52  1  0.361666  0.602437  0.274536  1
  H  H53  1  0.205429  0.536409  0.300177  1
  H  H54  1  0.049191  0.470381  0.325818  1
  H  H55  1  0.536541  0.098311  0.294717  1
  H  H56  1  0.380304  0.032283  0.320358  1
  H  H57  1  0.224067  0.966255  0.345999  1
  H  H58  1  0.203208  0.764978  0.294717  1
  H  H59  1  0.036541  0.098311  0.294717  1
  H  H60  1  0.046971  0.698950  0.320358  1
  H  H61  1  0.890733  0.632921  0.345999  1
  H  H62  1  0.880304  0.032283  0.320358  1
  H  H63  1  0.869874  0.431644  0.294717  1
  H  H64  1  0.724067  0.966255  0.345999  1
  H  H65  1  0.703208  0.764978  0.294717  1
  H  H66  1  0.713637  0.365616  0.320358  1
  H  H67  1  0.557400  0.299588  0.345999  1
  H  H68  1  0.546971  0.698950  0.320358  1
  H  H69  1  0.390733  0.632921  0.345999  1
  H  H70  1  0.369874  0.431644  0.294717  1
  H  H71  1  0.213637  0.365616  0.320358  1
  H  H72  1  0.057400  0.299588  0.345999  1
  H  H73  1  0.630426  0.983668  0.320658  1
  H  H74  1  0.442900  0.115724  0.269376  1
  H  H75  1  0.286663  0.049696  0.295017  1
  H  H76  1  0.297093  0.650335  0.320658  1
  H  H77  1  0.130426  0.983668  0.320658  1
  H  H78  1  0.109567  0.782391  0.269376  1
  H  H79  1  0.953330  0.716363  0.295017  1
  H  H80  1  0.942900  0.115724  0.269376  1
  H  H81  1  0.963759  0.317001  0.320658  1
  H  H82  1  0.786663  0.049696  0.295017  1
  H  H83  1  0.797093  0.650335  0.320658  1
  H  H84  1  0.776233  0.449058  0.269376  1
  H  H85  1  0.619996  0.383030  0.295017  1
  H  H86  1  0.609567  0.782391  0.269376  1
  H  H87  1  0.453330  0.716363  0.295017  1
  H  H88  1  0.463759  0.317001  0.320658  1
  H  H89  1  0.276233  0.449058  0.269376  1
  H  H90  1  0.119996  0.383030  0.295017  1
  H  H91  1  0.638635  0.812876  0.340839  1
  H  H92  1  0.451109  0.944932  0.289557  1
  H  H93  1  0.294872  0.878904  0.315198  1
  H  H94  1  0.305301  0.479542  0.340839  1
  H  H95  1  0.138635  0.812876  0.340839  1
  H  H96  1  0.117775  0.611599  0.289557  1
  H  H97  1  0.961538  0.545570  0.315198  1
  H  H98  1  0.951109  0.944932  0.289557  1
  H  H99  1  0.971968  0.146209  0.340839  1
  H  H100  1  0.794872  0.878904  0.315198  1
  H  H101  1  0.805301  0.479542  0.340839  1
  H  H102  1  0.784442  0.278265  0.289557  1
  H  H103  1  0.628205  0.212237  0.315198  1
  H  H104  1  0.617775  0.611599  0.289557  1
  H  H105  1  0.461538  0.545570  0.315198  1
  H  H106  1  0.471968  0.146209  0.340839  1
  H  H107  1  0.284442  0.278265  0.289557  1
  H  H108  1  0.128205  0.212237  0.315198  1
  H  H109  1  0.622095  0.203075  0.300177  1
  H  H110  1  0.465858  0.137047  0.325818  1
  H  H111  1  0.278332  0.269104  0.274536  1
  H  H112  1  0.288762  0.869742  0.300177  1
  H  H113  1  0.122095  0.203075  0.300177  1
  H  H114  1  0.132525  0.803714  0.325818  1
  H  H115  1  0.944999  0.935770  0.274536  1
  H  H116  1  0.965858  0.137047  0.325818  1
  H  H117  1  0.955429  0.536409  0.300177  1
  H  H118  1  0.778332  0.269104  0.274536  1
  H  H119  1  0.788762  0.869742  0.300177  1
  H  H120  1  0.799191  0.470381  0.325818  1
  H  H121  1  0.611666  0.602437  0.274536  1
  H  H122  1  0.632525  0.803714  0.325818  1
  H  H123  1  0.444999  0.935770  0.274536  1
  H  H124  1  0.455429  0.536409  0.300177  1
  H  H125  1  0.299191  0.470381  0.325818  1
  H  H126  1  0.111666  0.602437  0.274536  1
  H  H127  1  0.630304  0.032283  0.320358  1
  H  H128  1  0.474067  0.966255  0.345999  1
  H  H129  1  0.286541  0.098311  0.294717  1
  H  H130  1  0.296971  0.698950  0.320358  1
  H  H131  1  0.130304  0.032283  0.320358  1
  H  H132  1  0.140733  0.632921  0.345999  1
  H  H133  1  0.953208  0.764978  0.294717  1
  H  H134  1  0.974067  0.966255  0.345999  1
  H  H135  1  0.963637  0.365616  0.320358  1
  H  H136  1  0.786541  0.098311  0.294717  1
  H  H137  1  0.796971  0.698950  0.320358  1
  H  H138  1  0.807400  0.299588  0.345999  1
  H  H139  1  0.619874  0.431644  0.294717  1
  H  H140  1  0.640733  0.632921  0.345999  1
  H  H141  1  0.453208  0.764978  0.294717  1
  H  H142  1  0.463637  0.365616  0.320358  1
  H  H143  1  0.307400  0.299588  0.345999  1
  H  H144  1  0.119874  0.431644  0.294717  1
  H  H145  1  0.567952  0.851612  0.371940  1
  H  H146  1  0.411715  0.785583  0.397581  1
  H  H147  1  0.224189  0.917640  0.346299  1
  H  H148  1  0.234618  0.518278  0.371940  1
  H  H149  1  0.067952  0.851612  0.371940  1
  H  H150  1  0.078381  0.452250  0.397581  1
  H  H151  1  0.890856  0.584307  0.346299  1
  H  H152  1  0.911715  0.785583  0.397581  1
  H  H153  1  0.901285  0.184945  0.371940  1
  H  H154  1  0.724189  0.917640  0.346299  1
  H  H155  1  0.734618  0.518278  0.371940  1
  H  H156  1  0.745048  0.118917  0.397581  1
  H  H157  1  0.557522  0.250973  0.346299  1
  H  H158  1  0.578381  0.452250  0.397581  1
  H  H159  1  0.390856  0.584307  0.346299  1
  H  H160  1  0.401285  0.184945  0.371940  1
  H  H161  1  0.245048  0.118917  0.397581  1
  H  H162  1  0.057522  0.250973  0.346299  1
  H  H163  1  0.576160  0.680819  0.392121  1
  H  H164  1  0.419923  0.614791  0.417762  1
  H  H165  1  0.232398  0.746847  0.366480  1
  H  H166  1  0.242827  0.347486  0.392121  1
  H  H167  1  0.076160  0.680819  0.392121  1
  H  H168  1  0.086590  0.281458  0.417762  1
  H  H169  1  0.899064  0.413514  0.366480  1
  H  H170  1  0.919923  0.614791  0.417762  1
  H  H171  1  0.909494  0.014152  0.392121  1
  H  H172  1  0.732398  0.746847  0.366480  1
  H  H173  1  0.742827  0.347486  0.392121  1
  H  H174  1  0.753257  0.948124  0.417762  1
  H  H175  1  0.565731  0.080181  0.366480  1
  H  H176  1  0.586590  0.281458  0.417762  1
  H  H177  1  0.399064  0.413514  0.366480  1
  H  H178  1  0.409494  0.014152  0.392121  1
  H  H179  1  0.253257  0.948124  0.417762  1
  H  H180  1  0.065731  0.080181  0.366480  1
  H  H181  1  0.559621  0.071019  0.351459  1
  H  H182  1  0.403384  0.004991  0.377100  1
  H  H183  1  0.247147  0.938963  0.402741  1
  H  H184  1  0.226288  0.737686  0.351459  1
  H  H185  1  0.059621  0.071019  0.351459  1
  H  H186  1  0.070051  0.671657  0.377100  1
  H  H187  1  0.913814  0.605629  0.402741  1
  H  H188  1  0.903384  0.004991  0.377100  1
  H  H189  1  0.892954  0.404352  0.351459  1
  H  H190  1  0.747147  0.938963  0.402741  1
  H  H191  1  0.726288  0.737686  0.351459  1
  H  H192  1  0.736717  0.338324  0.377100  1
  H  H193  1  0.580480  0.272296  0.402741  1
  H  H194  1  0.570051  0.671657  0.377100  1
  H  H195  1  0.413814  0.605629  0.402741  1
  H  H196  1  0.392954  0.404352  0.351459  1
  H  H197  1  0.236717  0.338324  0.377100  1
  H  H198  1  0.080480  0.272296  0.402741  1
  H  H199  1  0.567830  0.900226  0.371640  1
  H  H200  1  0.411593  0.834198  0.397281  1
  H  H201  1  0.255356  0.768170  0.422922  1
  H  H202  1  0.234496  0.566893  0.371640  1
  H  H203  1  0.067830  0.900226  0.371640  1
  H  H204  1  0.078259  0.500865  0.397281  1
  H  H205  1  0.922022  0.434837  0.422922  1
  H  H206  1  0.911593  0.834198  0.397281  1
  H  H207  1  0.901163  0.233560  0.371640  1
  H  H208  1  0.755356  0.768170  0.422922  1
  H  H209  1  0.734496  0.566893  0.371640  1
  H  H210  1  0.744926  0.167532  0.397281  1
  H  H211  1  0.588689  0.101503  0.422922  1
  H  H212  1  0.578259  0.500865  0.397281  1
  H  H213  1  0.422022  0.434837  0.422922  1
  H  H214  1  0.401163  0.233560  0.371640  1
  H  H215  1  0.244926  0.167532  0.397281  1
  H  H216  1  0.088689  0.101503  0.422922  1
  H  H217  1  0.661715  0.785583  0.397581  1
  H  H218  1  0.474189  0.917640  0.346299  1
  H  H219  1  0.317952  0.851612  0.371940  1
  H  H220  1  0.328381  0.452250  0.397581  1
  H  H221  1  0.161715  0.785583  0.397581  1
  H  H222  1  0.140856  0.584307  0.346299  1
  H  H223  1  0.984618  0.518278  0.371940  1
  H  H224  1  0.974189  0.917640  0.346299  1
  H  H225  1  0.995048  0.118917  0.397581  1
  H  H226  1  0.817952  0.851612  0.371940  1
  H  H227  1  0.828381  0.452250  0.397581  1
  H  H228  1  0.807522  0.250973  0.346299  1
  H  H229  1  0.651285  0.184945  0.371940  1
  H  H230  1  0.640856  0.584307  0.346299  1
  H  H231  1  0.484618  0.518278  0.371940  1
  H  H232  1  0.495048  0.118917  0.397581  1
  H  H233  1  0.307522  0.250973  0.346299  1
  H  H234  1  0.151285  0.184945  0.371940  1
  H  H235  1  0.669923  0.614791  0.417762  1
  H  H236  1  0.482398  0.746847  0.366480  1
  H  H237  1  0.326160  0.680819  0.392121  1
  H  H238  1  0.336590  0.281458  0.417762  1
  H  H239  1  0.169923  0.614791  0.417762  1
  H  H240  1  0.149064  0.413514  0.366480  1
  H  H241  1  0.992827  0.347486  0.392121  1
  H  H242  1  0.982398  0.746847  0.366480  1
  H  H243  1  0.003257  0.948124  0.417762  1
  H  H244  1  0.826160  0.680819  0.392121  1
  H  H245  1  0.836590  0.281458  0.417762  1
  H  H246  1  0.815731  0.080181  0.366480  1
  H  H247  1  0.659494  0.014152  0.392121  1
  H  H248  1  0.649064  0.413514  0.366480  1
  H  H249  1  0.492827  0.347486  0.392121  1
  H  H250  1  0.503257  0.948124  0.417762  1
  H  H251  1  0.315731  0.080181  0.366480  1
  H  H252  1  0.159494  0.014152  0.392121  1
  H  H253  1  0.653384  0.004991  0.377100  1
  H  H254  1  0.497147  0.938963  0.402741  1
  H  H255  1  0.309621  0.071019  0.351459  1
  H  H256  1  0.320051  0.671657  0.377100  1
  H  H257  1  0.153384  0.004991  0.377100  1
  H  H258  1  0.163814  0.605629  0.402741  1
  H  H259  1  0.976288  0.737686  0.351459  1
  H  H260  1  0.997147  0.938963  0.402741  1
  H  H261  1  0.986717  0.338324  0.377100  1
  H  H262  1  0.809621  0.071019  0.351459  1
  H  H263  1  0.820051  0.671657  0.377100  1
  H  H264  1  0.830480  0.272296  0.402741  1
  H  H265  1  0.642954  0.404352  0.351459  1
  H  H266  1  0.663814  0.605629  0.402741  1
  H  H267  1  0.476288  0.737686  0.351459  1
  H  H268  1  0.486717  0.338324  0.377100  1
  H  H269  1  0.330480  0.272296  0.402741  1
  H  H270  1  0.142954  0.404352  0.351459  1
  H  H271  1  0.661593  0.834198  0.397281  1
  H  H272  1  0.505356  0.768170  0.422922  1
  H  H273  1  0.317830  0.900226  0.371640  1
  H  H274  1  0.328259  0.500865  0.397281  1
  H  H275  1  0.161593  0.834198  0.397281  1
  H  H276  1  0.172022  0.434837  0.422922  1
  H  H277  1  0.984496  0.566893  0.371640  1
  H  H278  1  0.005356  0.768170  0.422922  1
  H  H279  1  0.994926  0.167532  0.397281  1
  H  H280  1  0.817830  0.900226  0.371640  1
  H  H281  1  0.828259  0.500865  0.397281  1
  H  H282  1  0.838689  0.101503  0.422922  1
  H  H283  1  0.651163  0.233560  0.371640  1
  H  H284  1  0.672022  0.434837  0.422922  1
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  H  H861  1  0.609651  0.774555  0.679332  1
  H  H862  1  0.620081  0.375193  0.704973  1
  H  H863  1  0.463844  0.309165  0.730614  1
  H  H864  1  0.276318  0.441221  0.679332  1
