# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78125472
_cell_length_b   22.66548423
_cell_length_c   50.87321512
_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   4360.03646422
_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  1.002937  0.931799  0.236755  1
  H  H2  1  0.997677  0.254430  0.252370  1
  H  H3  1  1.001540  0.583213  0.271909  1
  H  H4  1  1.002662  0.002676  0.268120  1
  H  H5  1  1.004222  0.328399  0.283630  1
  H  H6  1  0.997148  0.671331  0.248702  1
  H  H7  1  0.928697  0.091045  0.244783  1
  H  H8  1  0.923305  0.415884  0.262285  1
  H  H9  1  0.923798  0.747004  0.279646  1
  H  H10  1  0.924582  0.165744  0.275726  1
  H  H11  1  0.925944  0.508697  0.241226  1
  H  H12  1  0.925233  0.834905  0.256358  1
  H  H13  1  0.501624  0.915884  0.262285  1
  H  H14  1  0.501131  0.247004  0.279646  1
  H  H15  1  0.496232  0.591045  0.244783  1
  H  H16  1  0.498985  0.008697  0.241226  1
  H  H17  1  0.499697  0.334905  0.256358  1
  H  H18  1  0.500347  0.665744  0.275726  1
  H  H19  1  0.423389  0.083213  0.271909  1
  H  H20  1  0.421993  0.431799  0.236755  1
  H  H21  1  0.427253  0.754430  0.252370  1
  H  H22  1  0.427781  0.171331  0.248702  1
  H  H23  1  0.422268  0.502676  0.268120  1
  H  H24  1  0.420707  0.828399  0.283630  1
  H  H25  1  1.003263  0.911318  0.287452  1
  H  H26  1  1.004247  0.240917  0.304789  1
  H  H27  1  1.007521  0.569624  0.321217  1
  H  H28  1  1.006617  -0.012278  0.316875  1
  H  H29  1  1.006975  0.317020  0.333689  1
  H  H30  1  1.003892  0.658933  0.300769  1
  H  H31  1  0.918332  0.077412  0.296752  1
  H  H32  1  0.920235  0.404915  0.312622  1
  H  H33  1  0.918661  0.734917  0.329673  1
  H  H34  1  0.918997  0.152854  0.325671  1
  H  H35  1  0.919264  0.493055  0.291942  1
  H  H36  1  0.919206  0.823268  0.308594  1
  H  H37  1  0.504695  0.904915  0.312622  1
  H  H38  1  0.506269  0.234917  0.329673  1
  H  H39  1  0.506597  0.577412  0.296752  1
  H  H40  1  0.505665  -0.006945  0.291942  1
  H  H41  1  0.505723  0.323268  0.308594  1
  H  H42  1  0.505932  0.652854  0.325671  1
  H  H43  1  0.417408  0.069624  0.321217  1
  H  H44  1  0.421666  0.411318  0.287452  1
  H  H45  1  0.420682  0.740917  0.304789  1
  H  H46  1  0.421038  0.158933  0.300769  1
  H  H47  1  0.418313  0.487722  0.316875  1
  H  H48  1  0.417955  0.817020  0.333689  1
  H  H49  1  1.005959  0.899298  0.337597  1
  H  H50  1  1.007739  0.228632  0.354571  1
  H  H51  1  1.008212  0.557447  0.371051  1
  H  H52  1  1.007966  -0.024644  0.366847  1
  H  H53  1  1.007935  0.304706  0.383570  1
  H  H54  1  1.007057  0.646073  0.350309  1
  H  H55  1  0.916789  0.063786  0.346099  1
  H  H56  1  0.918201  0.393049  0.362659  1
  H  H57  1  0.916715  0.722235  0.379412  1
  H  H58  1  0.917330  0.139978  0.375264  1
  H  H59  1  0.917326  0.481294  0.341779  1
  H  H60  1  0.917359  0.810997  0.358601  1
  H  H61  1  0.506728  0.893049  0.362659  1
  H  H62  1  0.508215  0.222235  0.379412  1
  H  H63  1  0.508141  0.563786  0.346099  1
  H  H64  1  0.507603  -0.018706  0.341779  1
  H  H65  1  0.507570  0.310997  0.358601  1
  H  H66  1  0.507600  0.639978  0.375264  1
  H  H67  1  0.416718  0.057447  0.371051  1
  H  H68  1  0.418970  0.399298  0.337597  1
  H  H69  1  0.417190  0.728632  0.354571  1
  H  H70  1  0.417873  0.146073  0.350309  1
  H  H71  1  0.416964  0.475356  0.366847  1
  H  H72  1  0.416994  0.804706  0.383570  1
  H  H73  1  1.007365  0.886887  0.387656  1
  H  H74  1  1.008513  0.216052  0.404366  1
  H  H75  1  1.008371  0.545179  0.420962  1
  H  H76  1  1.008513  -0.037021  0.416779  1
  H  H77  1  1.008169  0.292206  0.433448  1
  H  H78  1  1.007974  0.633728  0.400185  1
  H  H79  1  0.916574  0.051393  0.396025  1
  H  H80  1  0.917135  0.380652  0.412632  1
  H  H81  1  0.916321  0.709813  0.429300  1
  H  H82  1  0.916762  0.127588  0.425140  1
  H  H83  1  0.916598  0.469129  0.391811  1
  H  H84  1  0.916808  0.798402  0.408488  1
  H  H85  1  0.507794  0.880652  0.412632  1
  H  H86  1  0.508609  0.209813  0.429300  1
  H  H87  1  0.508355  0.551393  0.396025  1
  H  H88  1  0.508331  -0.030871  0.391811  1
  H  H89  1  0.508121  0.298402  0.408488  1
  H  H90  1  0.508168  0.627588  0.425140  1
  H  H91  1  0.416558  0.045179  0.420962  1
  H  H92  1  0.417564  0.386887  0.387656  1
  H  H93  1  0.416416  0.716052  0.404366  1
  H  H94  1  0.416956  0.133728  0.400185  1
  H  H95  1  0.416416  0.462979  0.416779  1
  H  H96  1  0.416760  0.792206  0.433448  1
  H  H97  1  1.008012  0.874417  0.437576  1
  H  H98  1  1.008659  0.203635  0.454253  1
  H  H99  1  1.008307  0.532825  0.470853  1
  H  H100  1  1.008659  0.950566  0.466673  1
  H  H101  1  1.008012  0.279785  0.483350  1
  H  H102  1  1.008307  0.621376  0.450072  1
  H  H103  1  0.916565  0.039010  0.445908  1
  H  H104  1  0.916782  0.368226  0.462535  1
  H  H105  1  0.916309  0.697419  0.479195  1
  H  H106  1  0.916565  0.115191  0.475018  1
  H  H107  1  0.916309  0.456782  0.441731  1
  H  H108  1  0.916782  0.785975  0.458391  1
  H  H109  1  0.508147  0.868226  0.462535  1
  H  H110  1  0.508620  0.197419  0.479195  1
  H  H111  1  0.508365  0.539010  0.445908  1
  H  H112  1  0.508620  -0.043218  0.441731  1
  H  H113  1  0.508147  0.285975  0.458391  1
  H  H114  1  0.508365  0.615191  0.475018  1
  H  H115  1  0.416623  0.032825  0.470853  1
  H  H116  1  0.416917  0.374417  0.437576  1
  H  H117  1  0.416270  0.703635  0.454253  1
  H  H118  1  0.416623  0.121376  0.450072  1
  H  H119  1  0.416270  0.450566  0.466673  1
  H  H120  1  0.416917  0.779785  0.483350  1
  H  H121  1  1.008169  0.861995  0.487478  1
  H  H122  1  1.008513  0.191223  0.504147  1
  H  H123  1  1.007974  0.520473  0.520741  1
  H  H124  1  1.008513  0.938149  0.516560  1
  H  H125  1  1.007365  0.267315  0.533269  1
  H  H126  1  1.008371  0.609023  0.499964  1
  H  H127  1  0.916762  0.026613  0.495786  1
  H  H128  1  0.916808  0.355799  0.512437  1
  H  H129  1  0.916598  0.685072  0.529115  1
  H  H130  1  0.916574  0.102808  0.524901  1
  H  H131  1  0.916321  0.444388  0.491626  1
  H  H132  1  0.917135  0.773549  0.508293  1
  H  H133  1  0.508121  0.855799  0.512437  1
  H  H134  1  0.508331  0.185072  0.529115  1
  H  H135  1  0.508168  0.526613  0.495786  1
  H  H136  1  0.508609  0.944388  0.491626  1
  H  H137  1  0.507794  0.273549  0.508293  1
  H  H138  1  0.508355  0.602808  0.524901  1
  H  H139  1  0.416956  0.020473  0.520741  1
  H  H140  1  0.416760  0.361995  0.487478  1
  H  H141  1  0.416416  0.691223  0.504147  1
  H  H142  1  0.416558  0.109023  0.499964  1
  H  H143  1  0.416416  0.438149  0.516560  1
  H  H144  1  0.417564  0.767315  0.533269  1
  H  H145  1  1.007935  0.849495  0.537356  1
  H  H146  1  1.007966  0.178846  0.554079  1
  H  H147  1  1.007057  0.508128  0.570617  1
  H  H148  1  1.007739  0.925570  0.566355  1
  H  H149  1  1.005959  0.254903  0.583329  1
  H  H150  1  1.008212  0.596754  0.549875  1
  H  H151  1  0.917330  0.014224  0.545661  1
  H  H152  1  0.917359  0.343204  0.562325  1
  H  H153  1  0.917326  0.672907  0.579147  1
  H  H154  1  0.916789  0.090415  0.574827  1
  H  H155  1  0.916715  0.431966  0.541514  1
  H  H156  1  0.918201  0.761152  0.558267  1
  H  H157  1  0.507570  0.843204  0.562325  1
  H  H158  1  0.507603  0.172907  0.579147  1
  H  H159  1  0.507600  0.514224  0.545661  1
  H  H160  1  0.508215  0.931966  0.541514  1
  H  H161  1  0.506728  0.261152  0.558267  1
  H  H162  1  0.508141  0.590415  0.574827  1
  H  H163  1  0.417873  0.008128  0.570617  1
  H  H164  1  0.416994  0.349495  0.537356  1
  H  H165  1  0.416964  0.678846  0.554079  1
  H  H166  1  0.416718  0.096754  0.549875  1
  H  H167  1  0.417190  0.425570  0.566355  1
  H  H168  1  0.418970  0.754903  0.583329  1
  H  H169  1  1.006975  0.837181  0.587237  1
  H  H170  1  1.006617  0.166479  0.604051  1
  H  H171  1  1.003892  0.495268  0.620156  1
  H  H172  1  1.004247  0.913284  0.616136  1
  H  H173  1  1.003263  0.242883  0.633474  1
  H  H174  1  1.007521  0.584577  0.599709  1
  H  H175  1  0.918997  0.001347  0.595255  1
  H  H176  1  0.919206  0.330933  0.612332  1
  H  H177  1  0.919264  0.661146  0.628983  1
  H  H178  1  0.918332  0.076789  0.624174  1
  H  H179  1  0.918661  0.419284  0.591253  1
  H  H180  1  0.920235  0.749286  0.608304  1
  H  H181  1  0.505723  0.830933  0.612332  1
  H  H182  1  0.505665  0.161146  0.628983  1
  H  H183  1  0.505932  0.501347  0.595255  1
  H  H184  1  0.506269  0.919284  0.591253  1
  H  H185  1  0.504695  0.249286  0.608304  1
  H  H186  1  0.506597  0.576789  0.624174  1
  H  H187  1  0.421038  -0.004732  0.620156  1
  H  H188  1  0.417955  0.337181  0.587237  1
  H  H189  1  0.418313  0.666479  0.604051  1
  H  H190  1  0.417408  0.084577  0.599709  1
  H  H191  1  0.420682  0.413284  0.616136  1
  H  H192  1  0.421666  0.742883  0.633474  1
  H  H193  1  1.004222  0.825802  0.637296  1
  H  H194  1  1.002662  0.151526  0.652806  1
  H  H195  1  0.997148  0.482870  0.672224  1
  H  H196  1  0.997677  0.899771  0.668555  1
  H  H197  1  1.002937  0.222403  0.684171  1
  H  H198  1  1.001540  0.570988  0.649017  1
  H  H199  1  0.924582  -0.011543  0.645200  1
  H  H200  1  0.925233  0.319296  0.664567  1
  H  H201  1  0.925944  0.645504  0.679700  1
  H  H202  1  0.928697  0.063156  0.676143  1
  H  H203  1  0.923798  0.407198  0.641279  1
  H  H204  1  0.923305  0.738317  0.658641  1
  H  H205  1  0.499697  0.819296  0.664567  1
  H  H206  1  0.498985  0.145504  0.679700  1
  H  H207  1  0.500347  0.488457  0.645200  1
  H  H208  1  0.501131  0.907198  0.641279  1
  H  H209  1  0.501624  0.238317  0.658641  1
  H  H210  1  0.496232  0.563156  0.676143  1
  H  H211  1  0.427781  -0.017130  0.672224  1
  H  H212  1  0.420707  0.325802  0.637296  1
  H  H213  1  0.422268  0.651526  0.652806  1
  H  H214  1  0.423389  0.070988  0.649017  1
  H  H215  1  0.427253  0.399771  0.668555  1
  H  H216  1  0.421993  0.722403  0.684171  1
