# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.44966185
_cell_length_b   11.47138257
_cell_length_c   47.81499752
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.33003980
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   6264.79324741
_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  0.693280  0.386560  0.281844  1
  H  H2  1  0.359947  0.386560  0.281844  1
  H  H3  1  0.388327  0.109987  0.304066  1
  H  H4  1  0.026613  0.386560  0.281844  1
  H  H5  1  0.054994  0.109987  0.304066  1
  H  H6  1  0.083374  0.833414  0.326289  1
  H  H7  1  0.721660  0.109987  0.304066  1
  H  H8  1  0.750040  0.833414  0.326289  1
  H  H9  1  0.416707  0.833414  0.326289  1
  H  H10  1  0.711274  0.422547  0.295934  1
  H  H11  1  0.377940  0.422547  0.295934  1
  H  H12  1  0.406321  0.145974  0.318156  1
  H  H13  1  0.044607  0.422547  0.295934  1
  H  H14  1  0.072987  0.145974  0.318156  1
  H  H15  1  0.016227  0.699120  0.273711  1
  H  H16  1  0.739654  0.145974  0.318156  1
  H  H17  1  0.682894  0.699120  0.273711  1
  H  H18  1  0.349560  0.699120  0.273711  1
  H  H19  1  0.512423  0.024846  0.270733  1
  H  H20  1  0.179090  0.024846  0.270733  1
  H  H21  1  0.207470  0.748273  0.292955  1
  H  H22  1  0.845756  0.024846  0.270733  1
  H  H23  1  0.874137  0.748273  0.292955  1
  H  H24  1  0.902517  0.471700  0.315177  1
  H  H25  1  0.540803  0.748273  0.292955  1
  H  H26  1  0.569184  0.471700  0.315177  1
  H  H27  1  0.235850  0.471700  0.315177  1
  H  H28  1  0.530417  0.060834  0.284823  1
  H  H29  1  0.197084  0.060834  0.284823  1
  H  H30  1  0.225464  0.784261  0.307045  1
  H  H31  1  0.863750  0.060834  0.284823  1
  H  H32  1  0.892131  0.784261  0.307045  1
  H  H33  1  0.920511  0.507688  0.329267  1
  H  H34  1  0.558797  0.784261  0.307045  1
  H  H35  1  0.587177  0.507688  0.329267  1
  H  H36  1  0.253844  0.507688  0.329267  1
  H  H37  1  0.778421  0.556841  0.348511  1
  H  H38  1  0.445087  0.556841  0.348511  1
  H  H39  1  0.473468  0.280268  0.370733  1
  H  H40  1  0.111754  0.556841  0.348511  1
  H  H41  1  0.140134  0.280268  0.370733  1
  H  H42  1  0.168515  0.003695  0.392955  1
  H  H43  1  0.806801  0.280268  0.370733  1
  H  H44  1  0.835181  0.003695  0.392955  1
  H  H45  1  0.501848  0.003695  0.392955  1
  H  H46  1  0.796415  0.592829  0.362600  1
  H  H47  1  0.463081  0.592829  0.362600  1
  H  H48  1  0.491461  0.316256  0.384823  1
  H  H49  1  0.129748  0.592829  0.362600  1
  H  H50  1  0.158128  0.316256  0.384823  1
  H  H51  1  0.101368  0.869402  0.340378  1
  H  H52  1  0.824795  0.316256  0.384823  1
  H  H53  1  0.768034  0.869402  0.340378  1
  H  H54  1  0.434701  0.869402  0.340378  1
  H  H55  1  0.597564  0.195127  0.337400  1
  H  H56  1  0.264231  0.195127  0.337400  1
  H  H57  1  0.292611  0.918555  0.359622  1
  H  H58  1  0.930897  0.195127  0.337400  1
  H  H59  1  0.959277  0.918555  0.359622  1
  H  H60  1  0.987658  0.641982  0.381844  1
  H  H61  1  0.625944  0.918555  0.359622  1
  H  H62  1  0.654324  0.641982  0.381844  1
  H  H63  1  0.320991  0.641982  0.381844  1
  H  H64  1  0.615558  0.231115  0.351489  1
  H  H65  1  0.282224  0.231115  0.351489  1
  H  H66  1  0.310605  0.954542  0.373711  1
  H  H67  1  0.948891  0.231115  0.351489  1
  H  H68  1  0.977271  0.954542  0.373711  1
  H  H69  1  0.005652  0.677969  0.395934  1
  H  H70  1  0.643938  0.954542  0.373711  1
  H  H71  1  0.672318  0.677969  0.395934  1
  H  H72  1  0.338985  0.677969  0.395934  1
  H  H73  1  0.863561  0.727123  0.415177  1
  H  H74  1  0.530228  0.727123  0.415177  1
  H  H75  1  0.558608  0.450550  0.437400  1
  H  H76  1  0.196895  0.727123  0.415177  1
  H  H77  1  0.225275  0.450550  0.437400  1
  H  H78  1  0.253655  0.173977  0.459622  1
  H  H79  1  0.891942  0.450550  0.437400  1
  H  H80  1  0.920322  0.173977  0.459622  1
  H  H81  1  0.586989  0.173977  0.459622  1
  H  H82  1  0.881555  0.763110  0.429267  1
  H  H83  1  0.548222  0.763110  0.429267  1
  H  H84  1  0.576602  0.486537  0.451489  1
  H  H85  1  0.214889  0.763110  0.429267  1
  H  H86  1  0.243269  0.486537  0.451489  1
  H  H87  1  0.186508  0.039683  0.407045  1
  H  H88  1  0.909936  0.486537  0.451489  1
  H  H89  1  0.853175  0.039683  0.407045  1
  H  H90  1  0.519842  0.039683  0.407045  1
  H  H91  1  0.682705  0.365409  0.404066  1
  H  H92  1  0.349371  0.365409  0.404066  1
  H  H93  1  0.377752  0.088836  0.426289  1
  H  H94  1  0.016038  0.365409  0.404066  1
  H  H95  1  0.044418  0.088836  0.426289  1
  H  H96  1  0.072799  0.812263  0.448511  1
  H  H97  1  0.711085  0.088836  0.426289  1
  H  H98  1  0.739465  0.812263  0.448511  1
  H  H99  1  0.406132  0.812263  0.448511  1
  H  H100  1  0.700698  0.401397  0.418156  1
  H  H101  1  0.367365  0.401397  0.418156  1
  H  H102  1  0.395745  0.124824  0.440378  1
  H  H103  1  0.034032  0.401397  0.418156  1
  H  H104  1  0.062412  0.124824  0.440378  1
  H  H105  1  0.090792  0.848251  0.462600  1
  H  H106  1  0.729079  0.124824  0.440378  1
  H  H107  1  0.757459  0.848251  0.462600  1
  H  H108  1  0.424126  0.848251  0.462600  1
  H  H109  1  0.948702  0.897404  0.481844  1
  H  H110  1  0.615369  0.897404  0.481844  1
  H  H111  1  0.643749  0.620831  0.504066  1
  H  H112  1  0.282036  0.897404  0.481844  1
  H  H113  1  0.310416  0.620831  0.504066  1
  H  H114  1  0.338796  0.344258  0.526289  1
  H  H115  1  0.977082  0.620831  0.504066  1
  H  H116  1  0.005463  0.344258  0.526289  1
  H  H117  1  0.672129  0.344258  0.526289  1
  H  H118  1  0.966696  0.933392  0.495934  1
  H  H119  1  0.633363  0.933392  0.495934  1
  H  H120  1  0.661743  0.656819  0.518156  1
  H  H121  1  0.300029  0.933392  0.495934  1
  H  H122  1  0.328410  0.656819  0.518156  1
  H  H123  1  0.271649  0.209965  0.473711  1
  H  H124  1  0.995076  0.656819  0.518156  1
  H  H125  1  0.938316  0.209965  0.473711  1
  H  H126  1  0.604982  0.209965  0.473711  1
  H  H127  1  0.767845  0.535691  0.470733  1
  H  H128  1  0.434512  0.535691  0.470733  1
  H  H129  1  0.462892  0.259118  0.492955  1
  H  H130  1  0.101179  0.535691  0.470733  1
  H  H131  1  0.129559  0.259118  0.492955  1
  H  H132  1  0.157939  0.982545  0.515177  1
  H  H133  1  0.796226  0.259118  0.492955  1
  H  H134  1  0.824606  0.982545  0.515177  1
  H  H135  1  0.491273  0.982545  0.515177  1
  H  H136  1  0.785839  0.571678  0.484823  1
  H  H137  1  0.452506  0.571678  0.484823  1
  H  H138  1  0.480886  0.295105  0.507045  1
  H  H139  1  0.119173  0.571678  0.484823  1
  H  H140  1  0.147553  0.295105  0.507045  1
  H  H141  1  0.175933  0.018533  0.529267  1
  H  H142  1  0.814220  0.295105  0.507045  1
  H  H143  1  0.842600  0.018533  0.529267  1
  H  H144  1  0.509266  0.018533  0.529267  1
  H  H145  1  0.033843  0.067686  0.548511  1
  H  H146  1  0.700510  0.067686  0.548511  1
  H  H147  1  0.728890  0.791113  0.570733  1
  H  H148  1  0.367176  0.067686  0.548511  1
  H  H149  1  0.395557  0.791113  0.570733  1
  H  H150  1  0.423937  0.514540  0.592955  1
  H  H151  1  0.062223  0.791113  0.570733  1
  H  H152  1  0.090603  0.514540  0.592955  1
  H  H153  1  0.757270  0.514540  0.592955  1
  H  H154  1  0.051837  0.103673  0.562600  1
  H  H155  1  0.718503  0.103673  0.562600  1
  H  H156  1  0.746884  0.827100  0.584823  1
  H  H157  1  0.385170  0.103673  0.562600  1
  H  H158  1  0.413550  0.827100  0.584823  1
  H  H159  1  0.356790  0.380246  0.540378  1
  H  H160  1  0.080217  0.827100  0.584823  1
  H  H161  1  0.023457  0.380246  0.540378  1
  H  H162  1  0.690123  0.380246  0.540378  1
  H  H163  1  0.852986  0.705972  0.537400  1
  H  H164  1  0.519653  0.705972  0.537400  1
  H  H165  1  0.548033  0.429399  0.559622  1
  H  H166  1  0.186320  0.705972  0.537400  1
  H  H167  1  0.214700  0.429399  0.559622  1
  H  H168  1  0.243080  0.152826  0.581844  1
  H  H169  1  0.881366  0.429399  0.559622  1
  H  H170  1  0.909747  0.152826  0.581844  1
  H  H171  1  0.576413  0.152826  0.581844  1
  H  H172  1  0.870980  0.741960  0.551489  1
  H  H173  1  0.537647  0.741960  0.551489  1
  H  H174  1  0.566027  0.465387  0.573711  1
  H  H175  1  0.204313  0.741960  0.551489  1
  H  H176  1  0.232694  0.465387  0.573711  1
  H  H177  1  0.261074  0.188814  0.595934  1
  H  H178  1  0.899360  0.465387  0.573711  1
  H  H179  1  0.927741  0.188814  0.595934  1
  H  H180  1  0.594407  0.188814  0.595934  1
  H  H181  1  0.118984  0.237967  0.615177  1
  H  H182  1  0.785650  0.237967  0.615177  1
  H  H183  1  0.814031  0.961394  0.637400  1
  H  H184  1  0.452317  0.237967  0.615177  1
  H  H185  1  0.480697  0.961394  0.637400  1
  H  H186  1  0.509078  0.684822  0.659622  1
  H  H187  1  0.147364  0.961394  0.637400  1
  H  H188  1  0.175744  0.684822  0.659622  1
  H  H189  1  0.842411  0.684822  0.659622  1
  H  H190  1  0.136978  0.273955  0.629267  1
  H  H191  1  0.803644  0.273955  0.629267  1
  H  H192  1  0.832024  0.997382  0.651489  1
  H  H193  1  0.470311  0.273955  0.629267  1
  H  H194  1  0.498691  0.997382  0.651489  1
  H  H195  1  0.441931  0.550528  0.607045  1
  H  H196  1  0.165358  0.997382  0.651489  1
  H  H197  1  0.108597  0.550528  0.607045  1
  H  H198  1  0.775264  0.550528  0.607045  1
  H  H199  1  0.938127  0.876254  0.604066  1
  H  H200  1  0.604794  0.876254  0.604066  1
  H  H201  1  0.633174  0.599681  0.626289  1
  H  H202  1  0.271460  0.876254  0.604066  1
  H  H203  1  0.299841  0.599681  0.626289  1
  H  H204  1  0.328221  0.323108  0.648511  1
  H  H205  1  0.966507  0.599681  0.626289  1
  H  H206  1  0.994887  0.323108  0.648511  1
  H  H207  1  0.661554  0.323108  0.648511  1
  H  H208  1  0.956121  0.912241  0.618156  1
  H  H209  1  0.622787  0.912241  0.618156  1
  H  H210  1  0.651168  0.635668  0.640378  1
  H  H211  1  0.289454  0.912241  0.618156  1
  H  H212  1  0.317834  0.635668  0.640378  1
  H  H213  1  0.346215  0.359096  0.662600  1
  H  H214  1  0.984501  0.635668  0.640378  1
  H  H215  1  0.012881  0.359096  0.662600  1
  H  H216  1  0.679548  0.359096  0.662600  1
  H  H217  1  0.204125  0.408249  0.681844  1
  H  H218  1  0.870791  0.408249  0.681844  1
  H  H219  1  0.899171  0.131676  0.704066  1
  H  H220  1  0.537458  0.408249  0.681844  1
  H  H221  1  0.565838  0.131676  0.704066  1
  H  H222  1  0.594218  0.855103  0.726289  1
  H  H223  1  0.232505  0.131676  0.704066  1
  H  H224  1  0.260885  0.855103  0.726289  1
  H  H225  1  0.927552  0.855103  0.726289  1
  H  H226  1  0.222118  0.444236  0.695934  1
  H  H227  1  0.888785  0.444236  0.695934  1
  H  H228  1  0.917165  0.167664  0.718156  1
  H  H229  1  0.555452  0.444236  0.695934  1
  H  H230  1  0.583832  0.167664  0.718156  1
  H  H231  1  0.527071  0.720809  0.673711  1
  H  H232  1  0.250499  0.167664  0.718156  1
  H  H233  1  0.193738  0.720809  0.673711  1
  H  H234  1  0.860405  0.720809  0.673711  1
  H  H235  1  0.023268  0.046535  0.670733  1
  H  H236  1  0.689934  0.046535  0.670733  1
  H  H237  1  0.718315  0.769962  0.692955  1
  H  H238  1  0.356601  0.046535  0.670733  1
  H  H239  1  0.384981  0.769962  0.692955  1
  H  H240  1  0.413362  0.493389  0.715177  1
  H  H241  1  0.051648  0.769962  0.692955  1
  H  H242  1  0.080028  0.493389  0.715177  1
  H  H243  1  0.746695  0.493389  0.715177  1
  H  H244  1  0.041262  0.082523  0.684823  1
  H  H245  1  0.707928  0.082523  0.684823  1
  H  H246  1  0.736308  0.805950  0.707045  1
  H  H247  1  0.374595  0.082523  0.684823  1
  H  H248  1  0.402975  0.805950  0.707045  1
  H  H249  1  0.431355  0.529377  0.729267  1
  H  H250  1  0.069642  0.805950  0.707045  1
  H  H251  1  0.098022  0.529377  0.729267  1
  H  H252  1  0.764689  0.529377  0.729267  1
