# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98204142
_cell_length_b   23.56675167
_cell_length_c   45.63768887
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.85799832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H480
_cell_volume   9621.59639604
_cell_formula_units_Z   240
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  0.740595  0.526072  0.293048  1
  H  H2  1  0.240595  0.526072  0.293048  1
  H  H3  1  0.784465  0.847352  0.322788  1
  H  H4  1  0.699784  0.186022  0.305218  1
  H  H5  1  0.284465  0.847352  0.322788  1
  H  H6  1  0.199784  0.186022  0.305218  1
  H  H7  1  0.721050  0.597304  0.327112  1
  H  H8  1  0.221050  0.597304  0.327112  1
  H  H9  1  0.762435  0.937144  0.305950  1
  H  H10  1  0.802555  0.274981  0.296301  1
  H  H11  1  0.262435  0.937144  0.305950  1
  H  H12  1  0.302555  0.274981  0.296301  1
  H  H13  1  0.574828  0.681150  0.306764  1
  H  H14  1  1.074828  0.681150  0.306764  1
  H  H15  1  0.739585  0.028869  0.289505  1
  H  H16  1  0.660092  0.346845  0.322903  1
  H  H17  1  0.239585  0.028869  0.289505  1
  H  H18  1  1.160092  0.346845  0.322903  1
  H  H19  1  0.677521  0.772984  0.296039  1
  H  H20  1  0.177521  0.772984  0.296039  1
  H  H21  1  0.597193  0.099457  0.316455  1
  H  H22  1  0.637961  0.435929  0.303437  1
  H  H23  1  1.097193  0.099457  0.316455  1
  H  H24  1  1.137961  0.435929  0.303437  1
  H  H25  1  0.490595  0.526072  0.293048  1
  H  H26  1  0.990595  0.526072  0.293048  1
  H  H27  1  0.534465  0.847352  0.322788  1
  H  H28  1  0.449784  0.186022  0.305218  1
  H  H29  1  1.034465  0.847352  0.322788  1
  H  H30  1  0.949784  0.186022  0.305218  1
  H  H31  1  0.471050  0.597304  0.327112  1
  H  H32  1  0.971050  0.597304  0.327112  1
  H  H33  1  0.512435  0.937144  0.305950  1
  H  H34  1  0.552555  0.274981  0.296301  1
  H  H35  1  1.012435  0.937144  0.305950  1
  H  H36  1  1.052555  0.274981  0.296301  1
  H  H37  1  0.324828  0.681150  0.306764  1
  H  H38  1  0.824828  0.681150  0.306764  1
  H  H39  1  0.489585  0.028869  0.289505  1
  H  H40  1  0.410092  0.346845  0.322903  1
  H  H41  1  0.989585  0.028869  0.289505  1
  H  H42  1  0.910092  0.346845  0.322903  1
  H  H43  1  0.427521  0.772984  0.296039  1
  H  H44  1  0.927521  0.772984  0.296039  1
  H  H45  1  0.347193  0.099457  0.316455  1
  H  H46  1  0.387961  0.435929  0.303437  1
  H  H47  1  0.847193  0.099457  0.316455  1
  H  H48  1  0.887961  0.435929  0.303437  1
  H  H49  1  0.619598  0.507125  0.337617  1
  H  H50  1  1.119598  0.507125  0.337617  1
  H  H51  1  0.664338  0.828322  0.367580  1
  H  H52  1  0.578620  0.168887  0.350367  1
  H  H53  1  1.164338  0.828322  0.367580  1
  H  H54  1  1.078620  0.168887  0.350367  1
  H  H55  1  0.602358  0.575985  0.371971  1
  H  H56  1  1.102358  0.575985  0.371971  1
  H  H57  1  0.641833  0.918935  0.351397  1
  H  H58  1  0.682451  0.256199  0.341258  1
  H  H59  1  1.141833  0.918935  0.351397  1
  H  H60  1  0.182451  0.256199  0.341258  1
  H  H61  1  0.579283  0.667023  0.356039  1
  H  H62  1  1.079283  0.667023  0.356039  1
  H  H63  1  0.620088  0.008559  0.334727  1
  H  H64  1  0.539171  0.329942  0.367990  1
  H  H65  1  1.120088  0.008559  0.334727  1
  H  H66  1  1.039171  0.329942  0.367990  1
  H  H67  1  0.556679  0.756707  0.340339  1
  H  H68  1  1.056679  0.756707  0.340339  1
  H  H69  1  0.477275  0.080212  0.361451  1
  H  H70  1  0.517003  0.419152  0.349244  1
  H  H71  1  0.977275  0.080212  0.361451  1
  H  H72  1  1.017003  0.419152  0.349244  1
  H  H73  1  0.369598  0.507125  0.337617  1
  H  H74  1  0.869598  0.507125  0.337617  1
  H  H75  1  0.414338  0.828322  0.367580  1
  H  H76  1  0.328620  0.168887  0.350367  1
  H  H77  1  0.914338  0.828322  0.367580  1
  H  H78  1  0.828620  0.168887  0.350367  1
  H  H79  1  0.352358  0.575985  0.371971  1
  H  H80  1  0.852358  0.575985  0.371971  1
  H  H81  1  0.391833  0.918935  0.351397  1
  H  H82  1  0.432451  0.256199  0.341258  1
  H  H83  1  0.891833  0.918935  0.351397  1
  H  H84  1  0.932451  0.256199  0.341258  1
  H  H85  1  0.329283  0.667023  0.356039  1
  H  H86  1  0.829283  0.667023  0.356039  1
  H  H87  1  0.370088  0.008559  0.334727  1
  H  H88  1  0.289171  0.329942  0.367990  1
  H  H89  1  0.870088  0.008559  0.334727  1
  H  H90  1  0.789171  0.329942  0.367990  1
  H  H91  1  0.306679  0.756707  0.340339  1
  H  H92  1  0.806679  0.756707  0.340339  1
  H  H93  1  0.227275  0.080212  0.361451  1
  H  H94  1  0.267003  0.419152  0.349244  1
  H  H95  1  0.727275  0.080212  0.361451  1
  H  H96  1  0.767003  0.419152  0.349244  1
  H  H97  1  0.499369  0.488912  0.381907  1
  H  H98  1  0.999369  0.488912  0.381907  1
  H  H99  1  0.544611  0.807428  0.411997  1
  H  H100  1  0.457167  0.150167  0.394430  1
  H  H101  1  1.044611  0.807428  0.411997  1
  H  H102  1  0.957167  0.150167  0.394430  1
  H  H103  1  0.481020  0.557200  0.416224  1
  H  H104  1  0.981020  0.557200  0.416224  1
  H  H105  1  0.522023  0.898819  0.395840  1
  H  H106  1  0.561628  0.238379  0.385135  1
  H  H107  1  1.022023  0.898819  0.395840  1
  H  H108  1  1.061628  0.238379  0.385135  1
  H  H109  1  0.459375  0.646857  0.400064  1
  H  H110  1  0.959375  0.646857  0.400064  1
  H  H111  1  0.499544  -0.009575  0.379754  1
  H  H112  1  0.418917  0.310130  0.412454  1
  H  H113  1  0.999544  -0.009575  0.379754  1
  H  H114  1  0.918917  0.310130  0.412454  1
  H  H115  1  0.436715  0.737494  0.384210  1
  H  H116  1  0.936715  0.737494  0.384210  1
  H  H117  1  0.356006  0.062420  0.408326  1
  H  H118  1  0.395673  0.402460  0.396151  1
  H  H119  1  0.856006  0.062420  0.408326  1
  H  H120  1  0.895673  0.402460  0.396151  1
  H  H121  1  0.249369  0.488912  0.381907  1
  H  H122  1  0.749369  0.488912  0.381907  1
  H  H123  1  0.294611  0.807428  0.411997  1
  H  H124  1  0.207167  0.150167  0.394430  1
  H  H125  1  0.794611  0.807428  0.411997  1
  H  H126  1  0.707167  0.150167  0.394430  1
  H  H127  1  0.231020  0.557200  0.416224  1
  H  H128  1  0.731020  0.557200  0.416224  1
  H  H129  1  0.272023  0.898819  0.395840  1
  H  H130  1  0.311628  0.238379  0.385135  1
  H  H131  1  0.772023  0.898819  0.395840  1
  H  H132  1  0.811628  0.238379  0.385135  1
  H  H133  1  0.209375  0.646857  0.400064  1
  H  H134  1  0.709375  0.646857  0.400064  1
  H  H135  1  0.249544  -0.009575  0.379754  1
  H  H136  1  0.168917  0.310130  0.412454  1
  H  H137  1  0.749544  -0.009575  0.379754  1
  H  H138  1  0.668917  0.310130  0.412454  1
  H  H139  1  0.186715  0.737494  0.384210  1
  H  H140  1  0.686715  0.737494  0.384210  1
  H  H141  1  1.106006  0.062420  0.408326  1
  H  H142  1  1.145673  0.402460  0.396151  1
  H  H143  1  0.606006  0.062420  0.408326  1
  H  H144  1  0.645673  0.402460  0.396151  1
  H  H145  1  0.504201  0.466298  0.429594  1
  H  H146  1  1.004201  0.466298  0.429594  1
  H  H147  1  0.425449  0.784726  0.456295  1
  H  H148  1  0.466049  0.126675  0.441753  1
  H  H149  1  0.925449  0.784726  0.456295  1
  H  H150  1  0.966049  0.126675  0.441753  1
  H  H151  1  0.362398  0.533520  0.459703  1
  H  H152  1  0.862398  0.533520  0.459703  1
  H  H153  1  0.402719  0.876564  0.440200  1
  H  H154  1  0.441795  0.218930  0.428826  1
  H  H155  1  0.902719  0.876564  0.440200  1
  H  H156  1  0.941795  0.218930  0.428826  1
  H  H157  1  0.339622  0.625176  0.444407  1
  H  H158  1  0.839622  0.625176  0.444407  1
  H  H159  1  0.379787  -0.031244  0.424244  1
  H  H160  1  0.300583  0.285904  0.457398  1
  H  H161  1  0.879787  -0.031244  0.424244  1
  H  H162  1  0.800583  0.285904  0.457398  1
  H  H163  1  0.317147  0.716081  0.428283  1
  H  H164  1  0.817147  0.716081  0.428283  1
  H  H165  1  0.238268  0.035381  0.454006  1
  H  H166  1  0.277255  0.376144  0.442272  1
  H  H167  1  0.738268  0.035381  0.454006  1
  H  H168  1  0.777255  0.376144  0.442272  1
  H  H169  1  0.254201  0.466298  0.429594  1
  H  H170  1  0.754201  0.466298  0.429594  1
  H  H171  1  0.175449  0.784726  0.456295  1
  H  H172  1  0.216049  0.126675  0.441753  1
  H  H173  1  0.675449  0.784726  0.456295  1
  H  H174  1  0.716049  0.126675  0.441753  1
  H  H175  1  1.112398  0.533520  0.459703  1
  H  H176  1  0.612398  0.533520  0.459703  1
  H  H177  1  1.152719  0.876564  0.440200  1
  H  H178  1  0.191795  0.218930  0.428826  1
  H  H179  1  0.652719  0.876564  0.440200  1
  H  H180  1  0.691795  0.218930  0.428826  1
  H  H181  1  1.089622  0.625176  0.444407  1
  H  H182  1  0.589622  0.625176  0.444407  1
  H  H183  1  1.129787  -0.031244  0.424244  1
  H  H184  1  1.050583  0.285904  0.457398  1
  H  H185  1  0.629787  -0.031244  0.424244  1
  H  H186  1  0.550583  0.285904  0.457398  1
  H  H187  1  1.067147  0.716081  0.428283  1
  H  H188  1  0.567147  0.716081  0.428283  1
  H  H189  1  0.988268  0.035381  0.454006  1
  H  H190  1  1.027255  0.376144  0.442272  1
  H  H191  1  0.488268  0.035381  0.454006  1
  H  H192  1  0.527255  0.376144  0.442272  1
  H  H193  1  0.385126  0.442412  0.473720  1
  H  H194  1  0.885126  0.442412  0.473720  1
  H  H195  1  0.306615  0.760781  0.500569  1
  H  H196  1  0.346467  0.101845  0.485512  1
  H  H197  1  0.806615  0.760781  0.500569  1
  H  H198  1  0.846467  0.101845  0.485512  1
  H  H199  1  0.243404  0.509626  0.503664  1
  H  H200  1  0.743404  0.509626  0.503664  1
  H  H201  1  0.284019  0.852540  0.484636  1
  H  H202  1  0.323375  0.193719  0.472038  1
  H  H203  1  0.784019  0.852540  0.484636  1
  H  H204  1  0.823375  0.193719  0.472038  1
  H  H205  1  0.220719  0.601254  0.488330  1
  H  H206  1  0.720719  0.601254  0.488330  1
  H  H207  1  0.261333  0.944154  0.469018  1
  H  H208  1  0.181419  0.260826  0.501455  1
  H  H209  1  0.761333  0.944154  0.469018  1
  H  H210  1  0.681419  0.260826  0.501455  1
  H  H211  1  0.198097  0.693084  0.472497  1
  H  H212  1  0.698097  0.693084  0.472497  1
  H  H213  1  1.119527  0.010996  0.498920  1
  H  H214  1  1.158749  0.352108  0.487388  1
  H  H215  1  0.619527  0.010996  0.498920  1
  H  H216  1  0.658749  0.352108  0.487388  1
  H  H217  1  1.135126  0.442412  0.473720  1
  H  H218  1  0.635126  0.442412  0.473720  1
  H  H219  1  1.056615  0.760781  0.500569  1
  H  H220  1  1.096467  0.101845  0.485512  1
  H  H221  1  0.556615  0.760781  0.500569  1
  H  H222  1  0.596467  0.101845  0.485512  1
  H  H223  1  0.993404  0.509626  0.503664  1
  H  H224  1  0.493404  0.509626  0.503664  1
  H  H225  1  1.034019  0.852540  0.484636  1
  H  H226  1  1.073375  0.193719  0.472038  1
  H  H227  1  0.534019  0.852540  0.484636  1
  H  H228  1  0.573375  0.193719  0.472038  1
  H  H229  1  0.970719  0.601254  0.488330  1
  H  H230  1  0.470719  0.601254  0.488330  1
  H  H231  1  1.011333  0.944154  0.469018  1
  H  H232  1  0.931419  0.260826  0.501455  1
  H  H233  1  0.511333  0.944154  0.469018  1
  H  H234  1  0.431419  0.260826  0.501455  1
  H  H235  1  0.948097  0.693084  0.472497  1
  H  H236  1  0.448097  0.693084  0.472497  1
  H  H237  1  0.869527  0.010996  0.498920  1
  H  H238  1  0.908749  0.352108  0.487388  1
  H  H239  1  0.369527  0.010996  0.498920  1
  H  H240  1  0.408749  0.352108  0.487388  1
  H  H241  1  0.266414  0.418666  0.518256  1
  H  H242  1  0.766414  0.418666  0.518256  1
  H  H243  1  0.187844  0.736578  0.544679  1
  H  H244  1  0.227191  0.077553  0.529788  1
  H  H245  1  0.687844  0.736578  0.544679  1
  H  H246  1  0.727191  0.077553  0.529788  1
  H  H247  1  1.124608  0.485507  0.548158  1
  H  H248  1  0.624608  0.485507  0.548158  1
  H  H249  1  1.165221  0.828407  0.528846  1
  H  H250  1  0.204521  0.168835  0.515721  1
  H  H251  1  0.665221  0.828407  0.528846  1
  H  H252  1  0.704521  0.168835  0.515721  1
  H  H253  1  1.101921  0.577121  0.532540  1
  H  H254  1  0.601921  0.577121  0.532540  1
  H  H255  1  1.142537  0.920035  0.513512  1
  H  H256  1  1.062565  0.235942  0.545138  1
  H  H257  1  0.642537  0.920035  0.513512  1
  H  H258  1  0.562565  0.235942  0.545138  1
  H  H259  1  1.079326  0.668881  0.516607  1
  H  H260  1  0.579326  0.668881  0.516607  1
  H  H261  1  1.000814  -0.012751  0.543457  1
  H  H262  1  1.039473  0.327817  0.531664  1
  H  H263  1  0.500814  -0.012751  0.543457  1
  H  H264  1  0.539473  0.327817  0.531664  1
  H  H265  1  1.016414  0.418666  0.518256  1
  H  H266  1  0.516414  0.418666  0.518256  1
  H  H267  1  0.937844  0.736578  0.544679  1
  H  H268  1  0.977191  0.077553  0.529788  1
  H  H269  1  0.437844  0.736578  0.544679  1
  H  H270  1  0.477191  0.077553  0.529788  1
  H  H271  1  0.874608  0.485507  0.548158  1
  H  H272  1  0.374608  0.485507  0.548158  1
  H  H273  1  0.915221  0.828407  0.528846  1
  H  H274  1  0.954521  0.168835  0.515721  1
  H  H275  1  0.415221  0.828407  0.528846  1
  H  H276  1  0.454521  0.168835  0.515721  1
  H  H277  1  0.851921  0.577121  0.532540  1
  H  H278  1  0.351921  0.577121  0.532540  1
  H  H279  1  0.892537  0.920035  0.513512  1
  H  H280  1  0.812565  0.235942  0.545138  1
  H  H281  1  0.392537  0.920035  0.513512  1
  H  H282  1  0.312565  0.235942  0.545138  1
  H  H283  1  0.829326  0.668881  0.516607  1
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  H  H379  1  0.591329  0.622233  0.605179  1
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  H  H385  1  0.908665  0.349450  0.655725  1
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  H  H391  1  0.765853  0.421102  0.682450  1
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  H  H393  1  0.806657  0.762638  0.661137  1
  H  H394  1  0.846769  0.099720  0.649186  1
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  H  H396  1  0.346769  0.099720  0.649186  1
  H  H397  1  0.744108  0.510727  0.665779  1
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  H  H399  1  0.783582  0.853677  0.645205  1
  H  H400  1  0.703489  0.173462  0.675918  1
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  H  H479  1  0.895346  0.903590  0.724128  1
  H  H480  1  0.936157  0.243639  0.711958  1
