# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79663420
_cell_length_b   23.13457862
_cell_length_c   49.59969748
_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   4356.51663758
_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  0.993657  0.512501  0.256727  1
  H  H2  1  0.999114  0.859987  0.241216  1
  H  H3  1  1.000554  0.171519  0.276451  1
  H  H4  1  0.985386  0.610830  0.241028  1
  H  H5  1  0.998283  0.921864  0.276401  1
  H  H6  1  0.994459  0.261535  0.256630  1
  H  H7  1  0.915083  0.671519  0.276451  1
  H  H8  1  0.921979  0.012501  0.256727  1
  H  H9  1  0.916523  0.359987  0.241216  1
  H  H10  1  0.921178  0.761535  0.256630  1
  H  H11  1  0.930251  0.110830  0.241028  1
  H  H12  1  0.917354  0.421864  0.276401  1
  H  H13  1  0.498948  0.498348  0.283948  1
  H  H14  1  0.497843  0.838097  0.266245  1
  H  H15  1  0.488525  0.184921  0.249085  1
  H  H16  1  0.492845  0.588370  0.265918  1
  H  H17  1  0.494397  0.933460  0.249184  1
  H  H18  1  0.502981  0.248282  0.284147  1
  H  H19  1  0.427112  0.684921  0.249085  1
  H  H20  1  0.416689  -0.001652  0.283948  1
  H  H21  1  0.417794  0.338097  0.266245  1
  H  H22  1  0.412656  0.748282  0.284147  1
  H  H23  1  0.422792  0.088370  0.265918  1
  H  H24  1  0.421239  0.433460  0.249184  1
  H  H25  1  1.004723  0.488338  0.308979  1
  H  H26  1  1.000606  0.828825  0.291696  1
  H  H27  1  1.004657  0.146463  0.325211  1
  H  H28  1  0.996984  0.578828  0.291678  1
  H  H29  1  1.003523  0.896474  0.325193  1
  H  H30  1  1.004766  0.238531  0.309018  1
  H  H31  1  0.910980  0.646463  0.325211  1
  H  H32  1  0.910914  -0.011662  0.308979  1
  H  H33  1  0.915030  0.328825  0.291696  1
  H  H34  1  0.910871  0.738531  0.309018  1
  H  H35  1  0.918653  0.078828  0.291678  1
  H  H36  1  0.912114  0.396474  0.325193  1
  H  H37  1  0.505302  0.474540  0.333431  1
  H  H38  1  0.502747  0.816094  0.316918  1
  H  H39  1  0.502243  0.156133  0.300053  1
  H  H40  1  0.501983  0.566038  0.316861  1
  H  H41  1  0.502351  0.906453  0.300053  1
  H  H42  1  0.506675  0.224585  0.333429  1
  H  H43  1  0.413394  0.656133  0.300053  1
  H  H44  1  0.410335  -0.025460  0.333431  1
  H  H45  1  0.412890  0.316094  0.316918  1
  H  H46  1  0.408962  0.724585  0.333429  1
  H  H47  1  0.413654  0.066038  0.316861  1
  H  H48  1  0.413285  0.406453  0.300053  1
  H  H49  1  1.006521  0.463976  0.358450  1
  H  H50  1  1.005720  0.805454  0.341915  1
  H  H51  1  1.006674  0.122678  0.375219  1
  H  H52  1  1.003338  0.555621  0.341891  1
  H  H53  1  1.005835  0.872801  0.375205  1
  H  H54  1  1.006613  0.214021  0.358473  1
  H  H55  1  0.908963  0.622678  0.375219  1
  H  H56  1  0.909116  -0.036024  0.358450  1
  H  H57  1  0.909917  0.305454  0.341915  1
  H  H58  1  0.909023  0.714021  0.358473  1
  H  H59  1  0.912299  0.055621  0.341891  1
  H  H60  1  0.909801  0.372801  0.375205  1
  H  H61  1  0.506524  0.451341  0.383442  1
  H  H62  1  0.505759  0.792450  0.366703  1
  H  H63  1  0.505231  0.133677  0.350086  1
  H  H64  1  0.505148  0.542538  0.366678  1
  H  H65  1  0.505620  0.883827  0.350092  1
  H  H66  1  0.507400  0.201381  0.383439  1
  H  H67  1  0.410406  0.633677  0.350086  1
  H  H68  1  0.409113  0.951341  0.383442  1
  H  H69  1  0.409878  0.292450  0.366703  1
  H  H70  1  0.408237  0.701381  0.383439  1
  H  H71  1  0.410489  0.042538  0.366678  1
  H  H72  1  0.410017  0.383827  0.350092  1
  H  H73  1  1.007212  0.440067  0.408493  1
  H  H74  1  1.006666  0.781320  0.391784  1
  H  H75  1  1.007061  0.098766  0.425120  1
  H  H76  1  1.005549  0.531399  0.391779  1
  H  H77  1  1.006643  0.848866  0.425106  1
  H  H78  1  1.007169  0.190159  0.408499  1
  H  H79  1  0.908575  0.598766  0.425120  1
  H  H80  1  0.908425  0.940067  0.408493  1
  H  H81  1  0.908971  0.281320  0.391784  1
  H  H82  1  0.908468  0.690159  0.408499  1
  H  H83  1  0.910088  0.031399  0.391779  1
  H  H84  1  0.908994  0.348866  0.425106  1
  H  H85  1  0.506910  0.427705  0.433396  1
  H  H86  1  0.506663  0.768930  0.416733  1
  H  H87  1  0.506583  0.110071  0.400074  1
  H  H88  1  0.506478  0.519019  0.416731  1
  H  H89  1  0.506679  0.860189  0.400058  1
  H  H90  1  0.507462  0.177786  0.433393  1
  H  H91  1  0.409054  0.610071  0.400074  1
  H  H92  1  0.408727  0.927705  0.433396  1
  H  H93  1  0.408974  0.268930  0.416733  1
  H  H94  1  0.408175  0.677786  0.433393  1
  H  H95  1  0.409158  0.019019  0.416731  1
  H  H96  1  0.408958  0.360189  0.400058  1
  H  H97  1  1.007056  0.416293  0.458423  1
  H  H98  1  1.007241  0.757543  0.441771  1
  H  H99  1  1.007074  0.075060  0.475083  1
  H  H100  1  1.006570  0.507634  0.441769  1
  H  H101  1  1.006847  0.825161  0.475068  1
  H  H102  1  1.007118  0.166379  0.458423  1
  H  H103  1  0.908563  0.575060  0.475083  1
  H  H104  1  0.908581  0.916293  0.458423  1
  H  H105  1  0.908396  0.257543  0.441771  1
  H  H106  1  0.908519  0.666379  0.458423  1
  H  H107  1  0.909066  0.007634  0.441769  1
  H  H108  1  0.908790  0.325161  0.475068  1
  H  H109  1  0.506570  0.404017  0.483348  1
  H  H110  1  0.507118  0.745272  0.466694  1
  H  H111  1  0.506847  0.086490  0.450050  1
  H  H112  1  0.507056  0.495358  0.466694  1
  H  H113  1  0.507074  0.836591  0.450034  1
  H  H114  1  0.507241  0.154108  0.483347  1
  H  H115  1  0.408790  0.586490  0.450050  1
  H  H116  1  0.409066  0.904017  0.483348  1
  H  H117  1  0.408519  0.245272  0.466694  1
  H  H118  1  0.408396  0.654108  0.483347  1
  H  H119  1  0.408581  -0.004642  0.466694  1
  H  H120  1  0.408563  0.336591  0.450034  1
  H  H121  1  1.006478  0.392632  0.508386  1
  H  H122  1  1.007462  0.733865  0.491725  1
  H  H123  1  1.006679  0.051462  0.525059  1
  H  H124  1  1.006910  0.483946  0.491722  1
  H  H125  1  1.006583  0.801580  0.525043  1
  H  H126  1  1.006663  0.142721  0.508385  1
  H  H127  1  0.908958  0.551462  0.525059  1
  H  H128  1  0.909158  0.892632  0.508386  1
  H  H129  1  0.908175  0.233865  0.491725  1
  H  H130  1  0.908974  0.642721  0.508385  1
  H  H131  1  0.908727  -0.016054  0.491722  1
  H  H132  1  0.909054  0.301580  0.525043  1
  H  H133  1  0.505549  0.380252  0.533338  1
  H  H134  1  0.507169  0.721491  0.516618  1
  H  H135  1  0.506643  0.062785  0.500011  1
  H  H136  1  0.507212  0.471584  0.516624  1
  H  H137  1  0.507061  0.812884  0.499997  1
  H  H138  1  0.506666  0.130331  0.533333  1
  H  H139  1  0.408994  0.562785  0.500011  1
  H  H140  1  0.410088  0.880252  0.533338  1
  H  H141  1  0.408468  0.221491  0.516618  1
  H  H142  1  0.408971  0.630331  0.533333  1
  H  H143  1  0.408425  -0.028416  0.516624  1
  H  H144  1  0.408575  0.312884  0.499997  1
  H  H145  1  1.005148  0.369112  0.558439  1
  H  H146  1  1.007400  0.710270  0.541678  1
  H  H147  1  1.005620  0.027824  0.575025  1
  H  H148  1  1.006524  0.460309  0.541676  1
  H  H149  1  1.005231  0.777973  0.575032  1
  H  H150  1  1.005759  0.119201  0.558414  1
  H  H151  1  0.910017  0.527824  0.575025  1
  H  H152  1  0.910489  0.869112  0.558439  1
  H  H153  1  0.908237  0.210270  0.541678  1
  H  H154  1  0.909878  0.619201  0.558414  1
  H  H155  1  0.909113  -0.039691  0.541676  1
  H  H156  1  0.910406  0.277973  0.575032  1
  H  H157  1  0.503338  0.356030  0.583226  1
  H  H158  1  0.506613  0.697630  0.566644  1
  H  H159  1  0.505835  0.038850  0.549912  1
  H  H160  1  0.506521  0.447675  0.566667  1
  H  H161  1  0.506674  0.788972  0.549899  1
  H  H162  1  0.505720  0.106197  0.583203  1
  H  H163  1  0.409801  0.538850  0.549912  1
  H  H164  1  0.412299  0.856030  0.583226  1
  H  H165  1  0.409023  0.197630  0.566644  1
  H  H166  1  0.409917  0.606197  0.583203  1
  H  H167  1  0.409116  0.947675  0.566667  1
  H  H168  1  0.408963  0.288972  0.549899  1
  H  H169  1  1.001983  0.345613  0.608256  1
  H  H170  1  1.006675  0.687066  0.591688  1
  H  H171  1  1.002351  0.005198  0.625064  1
  H  H172  1  1.005302  0.437110  0.591687  1
  H  H173  1  1.002243  0.755518  0.625065  1
  H  H174  1  1.002747  0.095557  0.608199  1
  H  H175  1  0.913285  0.505198  0.625064  1
  H  H176  1  0.913654  0.845613  0.608256  1
  H  H177  1  0.908962  0.187066  0.591688  1
  H  H178  1  0.912890  0.595557  0.608199  1
  H  H179  1  0.910335  0.937110  0.591687  1
  H  H180  1  0.913394  0.255518  0.625065  1
  H  H181  1  0.496984  0.332823  0.633439  1
  H  H182  1  0.504766  0.673120  0.616099  1
  H  H183  1  0.503523  0.015177  0.599924  1
  H  H184  1  0.504723  0.423313  0.616139  1
  H  H185  1  0.504657  0.765188  0.599907  1
  H  H186  1  0.500606  0.082825  0.633421  1
  H  H187  1  0.412114  0.515177  0.599924  1
  H  H188  1  0.418653  0.832823  0.633439  1
  H  H189  1  0.410871  0.173120  0.616099  1
  H  H190  1  0.415030  0.582825  0.633421  1
  H  H191  1  0.410914  0.923313  0.616139  1
  H  H192  1  0.410980  0.265188  0.599907  1
  H  H193  1  0.992845  0.323281  0.659199  1
  H  H194  1  1.002981  0.663369  0.640971  1
  H  H195  1  0.994397  -0.021809  0.675934  1
  H  H196  1  0.998948  0.413303  0.641169  1
  H  H197  1  0.988525  0.726730  0.676032  1
  H  H198  1  0.997843  0.073554  0.658872  1
  H  H199  1  0.921239  0.478191  0.675934  1
  H  H200  1  0.922792  0.823281  0.659199  1
  H  H201  1  0.912656  0.163369  0.640971  1
  H  H202  1  0.917794  0.573554  0.658872  1
  H  H203  1  0.916689  0.913303  0.641169  1
  H  H204  1  0.927112  0.226730  0.676032  1
  H  H205  1  0.485386  0.300821  0.684089  1
  H  H206  1  0.494459  0.650115  0.668487  1
  H  H207  1  0.498283  -0.010213  0.648716  1
  H  H208  1  0.493657  0.399150  0.668390  1
  H  H209  1  0.500554  0.740132  0.648666  1
  H  H210  1  0.499114  0.051664  0.683901  1
  H  H211  1  0.417354  0.489787  0.648716  1
  H  H212  1  0.430251  0.800821  0.684089  1
  H  H213  1  0.421178  0.150115  0.668487  1
  H  H214  1  0.416523  0.551664  0.683901  1
  H  H215  1  0.421979  0.899150  0.668390  1
  H  H216  1  0.415083  0.240132  0.648666  1
