# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78140514
_cell_length_b   23.09822649
_cell_length_c   49.91657772
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4359.90120277
_cell_formula_units_Z   108
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  0.994671  0.515038  0.254507  1
  H  H2  1  1.000301  0.862927  0.238989  1
  H  H3  1  1.001939  0.173929  0.274335  1
  H  H4  1  0.986637  0.613672  0.238782  1
  H  H5  1  0.999456  0.924238  0.274310  1
  H  H6  1  0.995613  0.264178  0.254430  1
  H  H7  1  0.922934  0.673929  0.274335  1
  H  H8  1  0.930202  0.015038  0.254507  1
  H  H9  1  0.924572  0.362927  0.238989  1
  H  H10  1  0.929260  0.764178  0.254430  1
  H  H11  1  0.938236  0.113672  0.238782  1
  H  H12  1  0.925416  0.424238  0.274310  1
  H  H13  1  0.500087  0.500643  0.281912  1
  H  H14  1  0.499204  0.840599  0.264101  1
  H  H15  1  0.490514  0.187574  0.246893  1
  H  H16  1  0.493993  0.590826  0.263794  1
  H  H17  1  0.495544  0.936332  0.247017  1
  H  H18  1  0.503835  0.250510  0.282060  1
  H  H19  1  0.434359  0.687574  0.246893  1
  H  H20  1  0.424785  0.000643  0.281912  1
  H  H21  1  0.425669  0.340599  0.264101  1
  H  H22  1  0.421037  0.750510  0.282060  1
  H  H23  1  0.430879  0.090826  0.263794  1
  H  H24  1  0.429329  0.436332  0.247017  1
  H  H25  1  1.005746  0.490420  0.306992  1
  H  H26  1  1.001977  0.830986  0.289614  1
  H  H27  1  1.006093  0.148388  0.323173  1
  H  H28  1  0.998087  0.580955  0.289592  1
  H  H29  1  1.004873  0.898390  0.323154  1
  H  H30  1  1.005693  0.240555  0.307006  1
  H  H31  1  0.918780  0.648388  0.323173  1
  H  H32  1  0.919127  -0.009580  0.306992  1
  H  H33  1  0.922896  0.330986  0.289614  1
  H  H34  1  0.919179  0.740555  0.307006  1
  H  H35  1  0.926786  0.080955  0.289592  1
  H  H36  1  0.919999  0.398390  0.323154  1
  H  H37  1  0.506486  0.476412  0.331425  1
  H  H38  1  0.504194  0.818064  0.314892  1
  H  H39  1  0.503680  0.158230  0.298008  1
  H  H40  1  0.503081  0.568011  0.314860  1
  H  H41  1  0.503529  0.908527  0.298012  1
  H  H42  1  0.507740  0.226428  0.331405  1
  H  H43  1  0.421192  0.658230  0.298008  1
  H  H44  1  0.418387  -0.023588  0.331425  1
  H  H45  1  0.420678  0.318064  0.314892  1
  H  H46  1  0.417133  0.726428  0.331405  1
  H  H47  1  0.421791  0.068011  0.314860  1
  H  H48  1  0.421344  0.408527  0.298012  1
  H  H49  1  1.007801  0.465750  0.356439  1
  H  H50  1  1.007199  0.807328  0.339908  1
  H  H51  1  1.008339  0.124422  0.373183  1
  H  H52  1  1.004582  0.557467  0.339903  1
  H  H53  1  1.007445  0.874517  0.373154  1
  H  H54  1  1.007854  0.215773  0.356446  1
  H  H55  1  0.916534  0.624422  0.373183  1
  H  H56  1  0.917072  -0.034250  0.356439  1
  H  H57  1  0.917674  0.307328  0.339908  1
  H  H58  1  0.917019  0.715773  0.356446  1
  H  H59  1  0.920291  0.057467  0.339903  1
  H  H60  1  0.917427  0.374517  0.373154  1
  H  H61  1  0.507889  0.453014  0.381376  1
  H  H62  1  0.507343  0.794180  0.364651  1
  H  H63  1  0.506818  0.135483  0.348073  1
  H  H64  1  0.506490  0.544250  0.364641  1
  H  H65  1  0.507099  0.885593  0.348060  1
  H  H66  1  0.508764  0.203044  0.381372  1
  H  H67  1  0.418055  0.635483  0.348073  1
  H  H68  1  0.416983  0.953014  0.381376  1
  H  H69  1  0.417529  0.294180  0.364651  1
  H  H70  1  0.416109  0.703044  0.381372  1
  H  H71  1  0.418383  0.044250  0.364641  1
  H  H72  1  0.417774  0.385593  0.348060  1
  H  H73  1  1.008631  0.441695  0.406410  1
  H  H74  1  1.008270  0.783006  0.389715  1
  H  H75  1  1.008798  0.100333  0.423021  1
  H  H76  1  1.006966  0.533062  0.389713  1
  H  H77  1  1.008340  0.850407  0.422998  1
  H  H78  1  1.008614  0.191770  0.406410  1
  H  H79  1  0.916074  0.600333  0.423021  1
  H  H80  1  0.916241  0.941695  0.406410  1
  H  H81  1  0.916602  0.283006  0.389715  1
  H  H82  1  0.916258  0.691770  0.406410  1
  H  H83  1  0.917907  0.033062  0.389713  1
  H  H84  1  0.916533  0.350407  0.422998  1
  H  H85  1  0.508349  0.429193  0.431282  1
  H  H86  1  0.508264  0.770487  0.414636  1
  H  H87  1  0.508292  0.111690  0.397998  1
  H  H88  1  0.507935  0.520546  0.414632  1
  H  H89  1  0.508351  0.861777  0.397969  1
  H  H90  1  0.508982  0.179256  0.431275  1
  H  H91  1  0.416580  0.611690  0.397998  1
  H  H92  1  0.416523  0.929193  0.431282  1
  H  H93  1  0.416609  0.270487  0.414636  1
  H  H94  1  0.415890  0.679256  0.431275  1
  H  H95  1  0.416938  0.020546  0.414632  1
  H  H96  1  0.416522  0.361777  0.397969  1
  H  H97  1  1.008523  0.417732  0.456290  1
  H  H98  1  1.008836  0.759047  0.439656  1
  H  H99  1  1.008805  0.076439  0.472936  1
  H  H100  1  1.008027  0.509113  0.439650  1
  H  H101  1  1.008575  0.826517  0.472912  1
  H  H102  1  1.008672  0.167796  0.456285  1
  H  H103  1  0.916068  0.576439  0.472936  1
  H  H104  1  0.916350  0.917732  0.456290  1
  H  H105  1  0.916037  0.259047  0.439656  1
  H  H106  1  0.916201  0.667796  0.456285  1
  H  H107  1  0.916845  0.009113  0.439650  1
  H  H108  1  0.916297  0.326517  0.472912  1
  H  H109  1  0.508027  0.405321  0.481185  1
  H  H110  1  0.508672  0.746638  0.464550  1
  H  H111  1  0.508575  0.087917  0.447923  1
  H  H112  1  0.508523  0.496702  0.464545  1
  H  H113  1  0.508805  0.837996  0.447899  1
  H  H114  1  0.508836  0.155387  0.481179  1
  H  H115  1  0.416297  0.587917  0.447923  1
  H  H116  1  0.416845  0.905321  0.481185  1
  H  H117  1  0.416201  0.246638  0.464550  1
  H  H118  1  0.416037  0.655387  0.481179  1
  H  H119  1  0.416350  -0.003298  0.464545  1
  H  H120  1  0.416068  0.337996  0.447899  1
  H  H121  1  1.007935  0.393888  0.506203  1
  H  H122  1  1.008982  0.735178  0.489560  1
  H  H123  1  1.008351  0.052657  0.522866  1
  H  H124  1  1.008349  0.485241  0.489553  1
  H  H125  1  1.008292  0.802745  0.522837  1
  H  H126  1  1.008264  0.143947  0.506200  1
  H  H127  1  0.916522  0.552657  0.522866  1
  H  H128  1  0.916938  0.893888  0.506203  1
  H  H129  1  0.915890  0.235178  0.489560  1
  H  H130  1  0.916609  0.643947  0.506200  1
  H  H131  1  0.916523  -0.014759  0.489553  1
  H  H132  1  0.916580  0.302745  0.522837  1
  H  H133  1  0.506966  0.381372  0.531122  1
  H  H134  1  0.508614  0.722664  0.514425  1
  H  H135  1  0.508340  0.064028  0.497837  1
  H  H136  1  0.508631  0.472740  0.514425  1
  H  H137  1  0.508798  0.814102  0.497814  1
  H  H138  1  0.508270  0.131428  0.531120  1
  H  H139  1  0.416533  0.564028  0.497837  1
  H  H140  1  0.417907  0.881372  0.531122  1
  H  H141  1  0.416258  0.222664  0.514425  1
  H  H142  1  0.416602  0.631428  0.531120  1
  H  H143  1  0.416241  -0.027260  0.514425  1
  H  H144  1  0.416074  0.314102  0.497814  1
  H  H145  1  1.006490  0.370185  0.556194  1
  H  H146  1  1.008764  0.711390  0.539463  1
  H  H147  1  1.007099  0.028841  0.572775  1
  H  H148  1  1.007889  0.461420  0.539459  1
  H  H149  1  1.006818  0.778951  0.572762  1
  H  H150  1  1.007343  0.120255  0.556184  1
  H  H151  1  0.917774  0.528841  0.572775  1
  H  H152  1  0.918383  0.870185  0.556194  1
  H  H153  1  0.916109  0.211390  0.539463  1
  H  H154  1  0.917529  0.620255  0.556184  1
  H  H155  1  0.916983  -0.038580  0.539459  1
  H  H156  1  0.918055  0.278951  0.572762  1
  H  H157  1  0.504582  0.356967  0.580932  1
  H  H158  1  0.507854  0.698661  0.564389  1
  H  H159  1  0.507445  0.039918  0.547681  1
  H  H160  1  0.507801  0.448684  0.564396  1
  H  H161  1  0.508339  0.790012  0.547652  1
  H  H162  1  0.507199  0.107106  0.580927  1
  H  H163  1  0.417427  0.539918  0.547681  1
  H  H164  1  0.420291  0.856967  0.580932  1
  H  H165  1  0.417019  0.198661  0.564389  1
  H  H166  1  0.417674  0.607106  0.580927  1
  H  H167  1  0.417072  0.948684  0.564396  1
  H  H168  1  0.416534  0.290012  0.547652  1
  H  H169  1  1.003081  0.346423  0.605975  1
  H  H170  1  1.007740  0.688006  0.589430  1
  H  H171  1  1.003529  0.005908  0.622823  1
  H  H172  1  1.006486  0.438023  0.589410  1
  H  H173  1  1.003680  0.756204  0.622827  1
  H  H174  1  1.004194  0.096370  0.605943  1
  H  H175  1  0.921344  0.505908  0.622823  1
  H  H176  1  0.921791  0.846423  0.605975  1
  H  H177  1  0.917133  0.188006  0.589430  1
  H  H178  1  0.920678  0.596370  0.605943  1
  H  H179  1  0.918387  0.938023  0.589410  1
  H  H180  1  0.921192  0.256204  0.622827  1
  H  H181  1  0.498087  0.333479  0.631243  1
  H  H182  1  0.505693  0.673879  0.613829  1
  H  H183  1  0.504873  0.016044  0.597681  1
  H  H184  1  0.505746  0.424014  0.613843  1
  H  H185  1  0.506093  0.766046  0.597662  1
  H  H186  1  0.501977  0.083448  0.631221  1
  H  H187  1  0.419999  0.516044  0.597681  1
  H  H188  1  0.426786  0.833479  0.631243  1
  H  H189  1  0.419179  0.173879  0.613829  1
  H  H190  1  0.422896  0.583448  0.631221  1
  H  H191  1  0.419127  0.924014  0.613843  1
  H  H192  1  0.418780  0.266046  0.597662  1
  H  H193  1  0.993993  0.323608  0.657041  1
  H  H194  1  1.003835  0.663924  0.638775  1
  H  H195  1  0.995544  -0.021898  0.673818  1
  H  H196  1  1.000087  0.413791  0.638923  1
  H  H197  1  0.990514  0.726860  0.673942  1
  H  H198  1  0.999204  0.073835  0.656734  1
  H  H199  1  0.929329  0.478102  0.673818  1
  H  H200  1  0.930879  0.823608  0.657041  1
  H  H201  1  0.921037  0.163924  0.638775  1
  H  H202  1  0.925669  0.573835  0.656734  1
  H  H203  1  0.924785  0.913791  0.638923  1
  H  H204  1  0.934359  0.226860  0.673942  1
  H  H205  1  0.486637  0.300762  0.682053  1
  H  H206  1  0.495613  0.650256  0.666405  1
  H  H207  1  0.499456  -0.009804  0.646525  1
  H  H208  1  0.494671  0.399396  0.666328  1
  H  H209  1  0.501939  0.740505  0.646500  1
  H  H210  1  0.500301  0.051507  0.681846  1
  H  H211  1  0.425416  0.490196  0.646525  1
  H  H212  1  0.438236  0.800762  0.682053  1
  H  H213  1  0.429260  0.150256  0.666405  1
  H  H214  1  0.424572  0.551507  0.681846  1
  H  H215  1  0.430202  0.899396  0.666328  1
  H  H216  1  0.422934  0.240505  0.646500  1
