# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49267458
_cell_length_b   23.01374589
_cell_length_c   46.97342667
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.38339783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H240
_cell_volume   4851.67252784
_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  0.395962  0.920861  0.316272  1
  H  H2  1  0.311210  0.263271  0.284451  1
  H  H3  1  0.227337  0.589408  0.303494  1
  H  H4  1  0.373777  0.009129  0.294833  1
  H  H5  1  0.291472  0.336719  0.316170  1
  H  H6  1  0.454913  0.678425  0.291383  1
  H  H7  1  1.105583  0.086322  0.318387  1
  H  H8  1  0.268207  0.424076  0.293810  1
  H  H9  1  0.186136  0.755313  0.314466  1
  H  H10  1  1.082336  0.174281  0.296944  1
  H  H11  1  0.999160  0.502853  0.316648  1
  H  H12  1  1.164519  0.843454  0.292877  1
  H  H13  1  0.895962  0.920861  0.316272  1
  H  H14  1  0.811210  0.263271  0.284451  1
  H  H15  1  0.727337  0.589408  0.303494  1
  H  H16  1  0.873777  0.009129  0.294833  1
  H  H17  1  0.791472  0.336719  0.316170  1
  H  H18  1  0.954913  0.678425  0.291383  1
  H  H19  1  0.605583  0.086322  0.318387  1
  H  H20  1  0.768207  0.424076  0.293810  1
  H  H21  1  0.686136  0.755313  0.314466  1
  H  H22  1  0.582336  0.174281  0.296944  1
  H  H23  1  0.499160  0.502853  0.316648  1
  H  H24  1  0.664519  0.843454  0.292877  1
  H  H25  1  1.148518  0.909439  0.360501  1
  H  H26  1  1.063828  0.249702  0.329067  1
  H  H27  1  0.980085  0.578815  0.348145  1
  H  H28  1  1.126751  -0.001970  0.339845  1
  H  H29  1  1.044187  0.325527  0.360049  1
  H  H30  1  0.208444  0.665404  0.335812  1
  H  H31  1  0.858045  0.075351  0.362741  1
  H  H32  1  1.021557  0.414494  0.338817  1
  H  H33  1  0.938869  0.743162  0.358401  1
  H  H34  1  0.835257  0.163832  0.341764  1
  H  H35  1  0.751947  0.492226  0.360922  1
  H  H36  1  0.917350  0.832256  0.337796  1
  H  H37  1  0.648518  0.909439  0.360501  1
  H  H38  1  0.563828  0.249702  0.329067  1
  H  H39  1  0.480085  0.578815  0.348145  1
  H  H40  1  0.626751  -0.001970  0.339845  1
  H  H41  1  0.544187  0.325527  0.360049  1
  H  H42  1  0.708444  0.665404  0.335812  1
  H  H43  1  0.358045  0.075351  0.362741  1
  H  H44  1  0.521557  0.414494  0.338817  1
  H  H45  1  0.438869  0.743162  0.358401  1
  H  H46  1  0.335257  0.163832  0.341764  1
  H  H47  1  0.251947  0.492226  0.360922  1
  H  H48  1  0.417350  0.832256  0.337796  1
  H  H49  1  0.901320  0.897632  0.404439  1
  H  H50  1  0.816132  0.238983  0.373020  1
  H  H51  1  0.732959  0.567374  0.392301  1
  H  H52  1  0.879495  -0.013089  0.383751  1
  H  H53  1  0.796784  0.314686  0.403999  1
  H  H54  1  0.961289  0.653991  0.379660  1
  H  H55  1  0.610574  0.064900  0.407072  1
  H  H56  1  0.774344  0.403375  0.382562  1
  H  H57  1  0.691613  0.731529  0.402460  1
  H  H58  1  0.588090  0.152734  0.386260  1
  H  H59  1  0.504727  0.480818  0.405157  1
  H  H60  1  0.670238  0.820348  0.381497  1
  H  H61  1  0.401320  0.897632  0.404439  1
  H  H62  1  0.316132  0.238983  0.373020  1
  H  H63  1  0.232959  0.567374  0.392301  1
  H  H64  1  0.379495  -0.013089  0.383751  1
  H  H65  1  0.296784  0.314686  0.403999  1
  H  H66  1  0.461289  0.653991  0.379660  1
  H  H67  1  1.110574  0.064900  0.407072  1
  H  H68  1  0.274344  0.403375  0.382562  1
  H  H69  1  0.191613  0.731529  0.402460  1
  H  H70  1  1.088090  0.152734  0.386260  1
  H  H71  1  1.004727  0.480818  0.405157  1
  H  H72  1  0.170238  0.820348  0.381497  1
  H  H73  1  0.654056  0.885891  0.448441  1
  H  H74  1  0.569034  0.228119  0.417432  1
  H  H75  1  0.485844  0.555787  0.436579  1
  H  H76  1  0.632504  -0.025202  0.427484  1
  H  H77  1  0.548397  0.303477  0.447885  1
  H  H78  1  0.714112  0.642495  0.423815  1
  H  H79  1  0.364068  0.051709  0.450368  1
  H  H80  1  0.527485  0.392169  0.426675  1
  H  H81  1  0.444363  0.719993  0.446561  1
  H  H82  1  0.339844  0.143485  0.432281  1
  H  H83  1  0.257695  0.469202  0.449584  1
  H  H84  1  0.422981  0.808712  0.425484  1
  H  H85  1  1.154056  0.885891  0.448441  1
  H  H86  1  1.069034  0.228119  0.417432  1
  H  H87  1  0.985844  0.555787  0.436579  1
  H  H88  1  1.132504  -0.025202  0.427484  1
  H  H89  1  1.048397  0.303477  0.447885  1
  H  H90  1  0.214112  0.642495  0.423815  1
  H  H91  1  0.864068  0.051709  0.450368  1
  H  H92  1  1.027485  0.392169  0.426675  1
  H  H93  1  0.944363  0.719993  0.446561  1
  H  H94  1  0.839844  0.143485  0.432281  1
  H  H95  1  0.757695  0.469202  0.449584  1
  H  H96  1  0.922981  0.808712  0.425484  1
  H  H97  1  0.406805  0.874213  0.492521  1
  H  H98  1  0.572711  0.211769  0.466022  1
  H  H99  1  0.238660  0.544124  0.480867  1
  H  H100  1  0.385161  -0.037179  0.471473  1
  H  H101  1  0.301952  0.290616  0.491255  1
  H  H102  1  0.466881  0.630951  0.467941  1
  H  H103  1  1.115652  0.040226  0.494214  1
  H  H104  1  0.280273  0.380405  0.470852  1
  H  H105  1  0.197047  0.708513  0.490626  1
  H  H106  1  0.343393  0.126925  0.480830  1
  H  H107  1  1.010600  0.457586  0.494222  1
  H  H108  1  0.175711  0.797131  0.469534  1
  H  H109  1  0.906805  0.874213  0.492521  1
  H  H110  1  1.072711  0.211769  0.466022  1
  H  H111  1  0.738660  0.544124  0.480867  1
  H  H112  1  0.885161  -0.037179  0.471473  1
  H  H113  1  0.801952  0.290616  0.491255  1
  H  H114  1  0.966881  0.630951  0.467941  1
  H  H115  1  0.615652  0.040226  0.494214  1
  H  H116  1  0.780273  0.380405  0.470852  1
  H  H117  1  0.697047  0.708513  0.490626  1
  H  H118  1  0.843393  0.126925  0.480830  1
  H  H119  1  0.510600  0.457586  0.494222  1
  H  H120  1  0.675711  0.797131  0.469534  1
  H  H121  1  1.159461  0.862663  0.536608  1
  H  H122  1  0.324572  0.202207  0.511921  1
  H  H123  1  0.991779  0.532868  0.525313  1
  H  H124  1  1.138125  -0.048719  0.515517  1
  H  H125  1  1.054899  0.279389  0.535290  1
  H  H126  1  0.219519  0.619567  0.511929  1
  H  H127  1  0.868291  0.028843  0.538202  1
  H  H128  1  1.033219  0.369178  0.514888  1
  H  H129  1  0.950011  0.696972  0.534670  1
  H  H130  1  1.096511  0.115669  0.525276  1
  H  H131  1  0.762461  0.448024  0.540121  1
  H  H132  1  0.928367  0.785580  0.513621  1
  H  H133  1  0.659461  0.862663  0.536608  1
  H  H134  1  0.824572  0.202207  0.511921  1
  H  H135  1  0.491779  0.532868  0.525313  1
  H  H136  1  0.638125  -0.048719  0.515517  1
  H  H137  1  0.554899  0.279389  0.535290  1
  H  H138  1  0.719519  0.619567  0.511929  1
  H  H139  1  0.368291  0.028843  0.538202  1
  H  H140  1  0.533219  0.369178  0.514888  1
  H  H141  1  0.450011  0.696972  0.534670  1
  H  H142  1  0.596511  0.115669  0.525276  1
  H  H143  1  0.262461  0.448024  0.540121  1
  H  H144  1  0.428367  0.785580  0.513621  1
  H  H145  1  0.912191  0.851082  0.580658  1
  H  H146  1  1.077477  0.190592  0.556559  1
  H  H147  1  0.995328  0.516308  0.573861  1
  H  H148  1  0.890809  0.939801  0.559582  1
  H  H149  1  0.807687  0.267624  0.579468  1
  H  H150  1  0.971104  0.608084  0.555775  1
  H  H151  1  0.621060  0.017298  0.582328  1
  H  H152  1  0.786775  0.356317  0.558257  1
  H  H153  1  0.702668  0.684996  0.578658  1
  H  H154  1  0.849328  0.104006  0.569563  1
  H  H155  1  0.766137  0.431674  0.588711  1
  H  H156  1  0.681116  0.773902  0.557702  1
  H  H157  1  0.412191  0.851082  0.580658  1
  H  H158  1  0.577477  0.190592  0.556559  1
  H  H159  1  0.495328  0.516308  0.573861  1
  H  H160  1  0.390809  0.939801  0.559582  1
  H  H161  1  0.307687  0.267624  0.579468  1
  H  H162  1  0.471104  0.608084  0.555775  1
  H  H163  1  1.121060  0.017298  0.582328  1
  H  H164  1  0.286775  0.356317  0.558257  1
  H  H165  1  0.202668  0.684996  0.578658  1
  H  H166  1  0.349328  0.104006  0.569563  1
  H  H167  1  0.266137  0.431674  0.588711  1
  H  H168  1  0.181116  0.773902  0.557702  1
  H  H169  1  0.664934  0.839445  0.624646  1
  H  H170  1  0.830445  0.178976  0.600985  1
  H  H171  1  0.747081  0.507060  0.619883  1
  H  H172  1  0.643559  0.928264  0.603683  1
  H  H173  1  0.560828  0.256419  0.623581  1
  H  H174  1  0.724597  0.594894  0.599071  1
  H  H175  1  0.373883  0.005802  0.626483  1
  H  H176  1  0.538387  0.345107  0.602144  1
  H  H177  1  0.455677  0.672882  0.622391  1
  H  H178  1  0.602212  0.092420  0.613842  1
  H  H179  1  0.519039  0.420811  0.633123  1
  H  H180  1  0.433852  0.762161  0.601704  1
  H  H181  1  1.164934  0.839445  0.624646  1
  H  H182  1  0.330445  0.178976  0.600985  1
  H  H183  1  0.247081  0.507060  0.619883  1
  H  H184  1  1.143559  0.928264  0.603683  1
  H  H185  1  1.060828  0.256419  0.623581  1
  H  H186  1  0.224597  0.594894  0.599071  1
  H  H187  1  0.873883  0.005802  0.626483  1
  H  H188  1  1.038387  0.345107  0.602144  1
  H  H189  1  0.955677  0.672882  0.622391  1
  H  H190  1  1.102212  0.092420  0.613842  1
  H  H191  1  1.019039  0.420811  0.633123  1
  H  H192  1  0.933852  0.762161  0.601704  1
  H  H193  1  0.417822  0.827537  0.668347  1
  H  H194  1  0.583225  0.167568  0.645220  1
  H  H195  1  0.499915  0.495961  0.664378  1
  H  H196  1  0.396302  0.916632  0.647741  1
  H  H197  1  0.313615  0.245299  0.667326  1
  H  H198  1  0.477127  0.584443  0.643402  1
  H  H199  1  1.126727  -0.005611  0.670331  1
  H  H200  1  0.290985  0.334267  0.646093  1
  H  H201  1  0.208421  0.661763  0.666298  1
  H  H202  1  0.355087  0.080979  0.657998  1
  H  H203  1  0.271344  0.410092  0.677076  1
  H  H204  1  0.186654  0.750354  0.645642  1
  H  H205  1  0.917822  0.827537  0.668347  1
  H  H206  1  1.083225  0.167568  0.645220  1
  H  H207  1  0.999915  0.495961  0.664378  1
  H  H208  1  0.896302  0.916632  0.647741  1
  H  H209  1  0.813615  0.245299  0.667326  1
  H  H210  1  0.977127  0.584443  0.643402  1
  H  H211  1  0.626727  -0.005611  0.670331  1
  H  H212  1  0.790985  0.334267  0.646093  1
  H  H213  1  0.708421  0.661763  0.666298  1
  H  H214  1  0.855087  0.080979  0.657998  1
  H  H215  1  0.771344  0.410092  0.677076  1
  H  H216  1  0.686654  0.750354  0.645642  1
  H  H217  1  0.170653  0.816339  0.713266  1
  H  H218  1  0.336011  0.156940  0.689494  1
  H  H219  1  0.252835  0.485512  0.709199  1
  H  H220  1  1.149036  0.904480  0.691677  1
  H  H221  1  1.066965  0.235717  0.712333  1
  H  H222  1  0.229589  0.573471  0.687756  1
  H  H223  1  0.880259  -0.018631  0.714760  1
  H  H224  1  1.043700  0.323075  0.689973  1
  H  H225  1  0.961394  0.650665  0.711310  1
  H  H226  1  1.107834  0.070386  0.702648  1
  H  H227  1  1.023961  0.396523  0.721692  1
  H  H228  1  0.939210  0.738932  0.689870  1
  H  H229  1  0.670653  0.816339  0.713266  1
  H  H230  1  0.836011  0.156940  0.689494  1
  H  H231  1  0.752835  0.485512  0.709199  1
  H  H232  1  0.649036  0.904480  0.691677  1
  H  H233  1  0.566965  0.235717  0.712333  1
  H  H234  1  0.729589  0.573471  0.687756  1
  H  H235  1  0.380259  -0.018631  0.714760  1
  H  H236  1  0.543700  0.323075  0.689973  1
  H  H237  1  0.461394  0.650665  0.711310  1
  H  H238  1  0.607834  0.070386  0.702648  1
  H  H239  1  0.523961  0.396523  0.721692  1
  H  H240  1  0.439210  0.738932  0.689870  1
