# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48160513
_cell_length_b   22.95244260
_cell_length_c   47.03132547
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.38208620
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H240
_cell_volume   4832.7710784
_cell_formula_units_Z   120
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  0.393763  0.921700  0.315010  1
  H  H2  1  0.308705  0.264374  0.283179  1
  H  H3  1  0.225468  0.590101  0.302290  1
  H  H4  1  0.371512  0.010003  0.293539  1
  H  H5  1  0.289138  0.337509  0.314982  1
  H  H6  1  0.452739  0.679075  0.290232  1
  H  H7  1  1.103231  0.087259  0.317038  1
  H  H8  1  0.266201  0.424729  0.292542  1
  H  H9  1  0.183847  0.755991  0.313285  1
  H  H10  1  1.079960  0.175227  0.295573  1
  H  H11  1  0.997097  0.503571  0.315339  1
  H  H12  1  1.162346  0.844215  0.291680  1
  H  H13  1  0.893763  0.921700  0.315010  1
  H  H14  1  0.808705  0.264374  0.283179  1
  H  H15  1  0.725468  0.590101  0.302290  1
  H  H16  1  0.871512  0.010003  0.293539  1
  H  H17  1  0.789138  0.337509  0.314982  1
  H  H18  1  0.952739  0.679075  0.290232  1
  H  H19  1  0.603231  0.087259  0.317038  1
  H  H20  1  0.766201  0.424729  0.292542  1
  H  H21  1  0.683847  0.755991  0.313285  1
  H  H22  1  0.579960  0.175227  0.295573  1
  H  H23  1  0.497097  0.503571  0.315339  1
  H  H24  1  0.662346  0.844215  0.291680  1
  H  H25  1  1.146370  0.910241  0.359163  1
  H  H26  1  1.061349  0.250530  0.327728  1
  H  H27  1  0.977878  0.579495  0.346856  1
  H  H28  1  1.124577  -0.001091  0.338495  1
  H  H29  1  1.041907  0.326265  0.358773  1
  H  H30  1  0.206169  0.666057  0.334601  1
  H  H31  1  0.855764  0.076254  0.361331  1
  H  H32  1  1.019359  0.415254  0.337511  1
  H  H33  1  0.936667  0.743799  0.357152  1
  H  H34  1  0.832899  0.164698  0.340348  1
  H  H35  1  0.749759  0.492953  0.359545  1
  H  H36  1  0.915162  0.832997  0.336531  1
  H  H37  1  0.646370  0.910241  0.359163  1
  H  H38  1  0.561349  0.250530  0.327728  1
  H  H39  1  0.477878  0.579495  0.346856  1
  H  H40  1  0.624577  -0.001091  0.338495  1
  H  H41  1  0.541907  0.326265  0.358773  1
  H  H42  1  0.706169  0.666057  0.334601  1
  H  H43  1  0.355764  0.076254  0.361331  1
  H  H44  1  0.519359  0.415254  0.337511  1
  H  H45  1  0.436667  0.743799  0.357152  1
  H  H46  1  0.332899  0.164698  0.340348  1
  H  H47  1  0.249759  0.492953  0.359545  1
  H  H48  1  0.415162  0.832997  0.336531  1
  H  H49  1  0.899171  0.898373  0.403030  1
  H  H50  1  0.813825  0.239769  0.371617  1
  H  H51  1  0.730753  0.568029  0.390944  1
  H  H52  1  0.877373  -0.012249  0.382338  1
  H  H53  1  0.794464  0.315384  0.402642  1
  H  H54  1  0.959120  0.654610  0.378392  1
  H  H55  1  0.608455  0.065774  0.405604  1
  H  H56  1  0.772089  0.404089  0.381188  1
  H  H57  1  0.689441  0.732121  0.401140  1
  H  H58  1  0.585742  0.153584  0.384799  1
  H  H59  1  0.502510  0.481503  0.403709  1
  H  H60  1  0.668086  0.821050  0.380160  1
  H  H61  1  0.399171  0.898373  0.403030  1
  H  H62  1  0.313825  0.239769  0.371617  1
  H  H63  1  0.230753  0.568029  0.390944  1
  H  H64  1  0.377373  -0.012249  0.382338  1
  H  H65  1  0.294464  0.315384  0.402642  1
  H  H66  1  0.459120  0.654610  0.378392  1
  H  H67  1  1.108455  0.065774  0.405604  1
  H  H68  1  0.272089  0.404089  0.381188  1
  H  H69  1  0.189441  0.732121  0.401140  1
  H  H70  1  1.085742  0.153584  0.384799  1
  H  H71  1  1.002510  0.481503  0.403709  1
  H  H72  1  0.168086  0.821050  0.380160  1
  H  H73  1  0.651857  0.886547  0.446957  1
  H  H74  1  0.567062  0.228852  0.415969  1
  H  H75  1  0.483628  0.556389  0.435152  1
  H  H76  1  0.630380  -0.024428  0.425999  1
  H  H77  1  0.545928  0.304044  0.446447  1
  H  H78  1  0.711928  0.643070  0.422486  1
  H  H79  1  0.361989  0.052492  0.448820  1
  H  H80  1  0.525177  0.392846  0.425230  1
  H  H81  1  0.442179  0.720527  0.445171  1
  H  H82  1  0.337860  0.144289  0.430800  1
  H  H83  1  0.255505  0.469834  0.448073  1
  H  H84  1  0.420804  0.809345  0.424076  1
  H  H85  1  1.151857  0.886547  0.446957  1
  H  H86  1  1.067062  0.228852  0.415969  1
  H  H87  1  0.983628  0.556389  0.435152  1
  H  H88  1  1.130380  -0.024428  0.425999  1
  H  H89  1  1.045928  0.304044  0.446447  1
  H  H90  1  0.211928  0.643070  0.422486  1
  H  H91  1  0.861989  0.052492  0.448820  1
  H  H92  1  1.025177  0.392846  0.425230  1
  H  H93  1  0.942179  0.720527  0.445171  1
  H  H94  1  0.837860  0.144289  0.430800  1
  H  H95  1  0.755505  0.469834  0.448073  1
  H  H96  1  0.920804  0.809345  0.424076  1
  H  H97  1  0.404558  0.874791  0.490969  1
  H  H98  1  0.570249  0.212327  0.464515  1
  H  H99  1  0.236421  0.544660  0.479368  1
  H  H100  1  0.382949  -0.036511  0.469910  1
  H  H101  1  0.299559  0.291116  0.489742  1
  H  H102  1  0.464650  0.631462  0.466545  1
  H  H103  1  1.113499  0.040858  0.492584  1
  H  H104  1  0.277921  0.381008  0.469333  1
  H  H105  1  0.194834  0.708980  0.489165  1
  H  H106  1  0.340929  0.127539  0.479297  1
  H  H107  1  1.008251  0.458158  0.492657  1
  H  H108  1  0.173506  0.797694  0.468056  1
  H  H109  1  0.904558  0.874791  0.490969  1
  H  H110  1  1.070249  0.212327  0.464515  1
  H  H111  1  0.736421  0.544660  0.479368  1
  H  H112  1  0.882949  -0.036511  0.469910  1
  H  H113  1  0.799559  0.291116  0.489742  1
  H  H114  1  0.964650  0.631462  0.466545  1
  H  H115  1  0.613499  0.040858  0.492584  1
  H  H116  1  0.777921  0.381008  0.469333  1
  H  H117  1  0.694834  0.708980  0.489165  1
  H  H118  1  0.840929  0.127539  0.479297  1
  H  H119  1  0.508251  0.458158  0.492657  1
  H  H120  1  0.673506  0.797694  0.468056  1
  H  H121  1  1.157170  0.863171  0.534988  1
  H  H122  1  0.322425  0.202708  0.510387  1
  H  H123  1  0.989746  0.533326  0.523747  1
  H  H124  1  1.135842  -0.048114  0.513879  1
  H  H125  1  1.052755  0.279858  0.533711  1
  H  H126  1  0.217176  0.620007  0.510460  1
  H  H127  1  0.866026  0.029404  0.536498  1
  H  H128  1  1.031117  0.369750  0.513302  1
  H  H129  1  0.947727  0.697377  0.533134  1
  H  H130  1  1.094255  0.116205  0.523676  1
  H  H131  1  0.760427  0.448538  0.538528  1
  H  H132  1  0.926118  0.786075  0.512075  1
  H  H133  1  0.657170  0.863171  0.534988  1
  H  H134  1  0.822425  0.202708  0.510387  1
  H  H135  1  0.489746  0.533326  0.523747  1
  H  H136  1  0.635842  -0.048114  0.513879  1
  H  H137  1  0.552755  0.279858  0.533711  1
  H  H138  1  0.717176  0.620007  0.510460  1
  H  H139  1  0.366026  0.029404  0.536498  1
  H  H140  1  0.531117  0.369750  0.513302  1
  H  H141  1  0.447727  0.697377  0.533134  1
  H  H142  1  0.594255  0.116205  0.523676  1
  H  H143  1  0.260427  0.448538  0.538528  1
  H  H144  1  0.426118  0.786075  0.512075  1
  H  H145  1  0.909871  0.851521  0.578968  1
  H  H146  1  1.075170  0.191031  0.554971  1
  H  H147  1  0.992816  0.516577  0.572244  1
  H  H148  1  0.888497  0.940339  0.557873  1
  H  H149  1  0.805498  0.268019  0.577813  1
  H  H150  1  0.968687  0.608373  0.554223  1
  H  H151  1  0.618748  0.017796  0.580557  1
  H  H152  1  0.784748  0.356822  0.556597  1
  H  H153  1  0.700296  0.685294  0.577045  1
  H  H154  1  0.847048  0.104477  0.567892  1
  H  H155  1  0.763614  0.432013  0.587075  1
  H  H156  1  0.678819  0.774319  0.556087  1
  H  H157  1  0.409871  0.851521  0.578968  1
  H  H158  1  0.575170  0.191031  0.554971  1
  H  H159  1  0.492816  0.516577  0.572244  1
  H  H160  1  0.388497  0.940339  0.557873  1
  H  H161  1  0.305498  0.268019  0.577813  1
  H  H162  1  0.468687  0.608373  0.554223  1
  H  H163  1  1.118748  0.017796  0.580557  1
  H  H164  1  0.284748  0.356822  0.556597  1
  H  H165  1  0.200296  0.685294  0.577045  1
  H  H166  1  0.347048  0.104477  0.567892  1
  H  H167  1  0.263614  0.432013  0.587075  1
  H  H168  1  0.178819  0.774319  0.556087  1
  H  H169  1  0.662589  0.839816  0.622884  1
  H  H170  1  0.828166  0.179362  0.599335  1
  H  H171  1  0.744934  0.507281  0.618245  1
  H  H172  1  0.641235  0.928744  0.601904  1
  H  H173  1  0.558587  0.256777  0.621856  1
  H  H174  1  0.722221  0.595092  0.597440  1
  H  H175  1  0.371556  0.006255  0.624652  1
  H  H176  1  0.536212  0.345482  0.600401  1
  H  H177  1  0.453303  0.673114  0.620706  1
  H  H178  1  0.599923  0.092837  0.612100  1
  H  H179  1  0.516851  0.421097  0.631427  1
  H  H180  1  0.431505  0.762493  0.600014  1
  H  H181  1  1.162589  0.839816  0.622884  1
  H  H182  1  0.328166  0.179362  0.599335  1
  H  H183  1  0.244934  0.507281  0.618245  1
  H  H184  1  1.141235  0.928744  0.601904  1
  H  H185  1  1.058587  0.256777  0.621856  1
  H  H186  1  0.222221  0.595092  0.597440  1
  H  H187  1  0.871556  0.006255  0.624652  1
  H  H188  1  1.036212  0.345482  0.600401  1
  H  H189  1  0.953303  0.673114  0.620706  1
  H  H190  1  1.099923  0.092837  0.612100  1
  H  H191  1  1.016851  0.421097  0.631427  1
  H  H192  1  0.931505  0.762493  0.600014  1
  H  H193  1  0.415514  0.827869  0.666513  1
  H  H194  1  0.580917  0.167913  0.643499  1
  H  H195  1  0.497777  0.496167  0.662695  1
  H  H196  1  0.394008  0.917067  0.645892  1
  H  H197  1  0.311317  0.245611  0.665532  1
  H  H198  1  0.474912  0.584612  0.641713  1
  H  H199  1  1.124507  -0.005192  0.668443  1
  H  H200  1  0.288769  0.334600  0.644271  1
  H  H201  1  0.206099  0.661957  0.664549  1
  H  H202  1  0.352798  0.081370  0.656187  1
  H  H203  1  0.269327  0.410336  0.675315  1
  H  H204  1  0.184306  0.750625  0.643881  1
  H  H205  1  0.915514  0.827869  0.666513  1
  H  H206  1  1.080917  0.167913  0.643499  1
  H  H207  1  0.997777  0.496167  0.662695  1
  H  H208  1  0.894008  0.917067  0.645892  1
  H  H209  1  0.811317  0.245611  0.665532  1
  H  H210  1  0.974912  0.584612  0.641713  1
  H  H211  1  0.624507  -0.005192  0.668443  1
  H  H212  1  0.788769  0.334600  0.644271  1
  H  H213  1  0.706099  0.661957  0.664549  1
  H  H214  1  0.852798  0.081370  0.656187  1
  H  H215  1  0.769327  0.410336  0.675315  1
  H  H216  1  0.684306  0.750625  0.643881  1
  H  H217  1  0.168330  0.816651  0.711363  1
  H  H218  1  0.333579  0.157295  0.687705  1
  H  H219  1  0.250715  0.485638  0.707471  1
  H  H220  1  1.146828  0.904875  0.689759  1
  H  H221  1  1.064475  0.236137  0.710502  1
  H  H222  1  0.227445  0.573606  0.686006  1
  H  H223  1  0.877937  -0.018210  0.712812  1
  H  H224  1  1.041538  0.323356  0.688062  1
  H  H225  1  0.959164  0.650863  0.709505  1
  H  H226  1  1.105208  0.070765  0.700754  1
  H  H227  1  1.021971  0.396492  0.719864  1
  H  H228  1  0.936912  0.739166  0.688033  1
  H  H229  1  0.668330  0.816651  0.711363  1
  H  H230  1  0.833579  0.157295  0.687705  1
  H  H231  1  0.750715  0.485638  0.707471  1
  H  H232  1  0.646828  0.904875  0.689759  1
  H  H233  1  0.564475  0.236137  0.710502  1
  H  H234  1  0.727445  0.573606  0.686006  1
  H  H235  1  0.377937  -0.018210  0.712812  1
  H  H236  1  0.541538  0.323356  0.688062  1
  H  H237  1  0.459164  0.650863  0.709505  1
  H  H238  1  0.605208  0.070765  0.700754  1
  H  H239  1  0.521971  0.396492  0.719864  1
  H  H240  1  0.436912  0.739166  0.688033  1
