# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78682966
_cell_length_b   9.08363862
_cell_length_c   68.29807636
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.53468691
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3733.59514703
_cell_formula_units_Z   90
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  0.552575  0.923192  0.130947  1
  H  H2  1  1.219241  0.923192  0.130947  1
  H  H3  1  0.885908  0.923192  0.130947  1
  H  H4  1  0.899034  0.197424  0.125945  1
  H  H5  1  0.565700  0.197424  0.125945  1
  H  H6  1  0.232367  0.197424  0.125945  1
  H  H7  1  0.417710  0.483204  0.117725  1
  H  H8  1  1.084377  0.483204  0.117725  1
  H  H9  1  0.751044  0.483204  0.117725  1
  H  H10  1  0.556072  0.671986  0.142654  1
  H  H11  1  1.222738  0.671986  0.142654  1
  H  H12  1  0.889405  0.671986  0.142654  1
  H  H13  1  0.512683  0.859576  0.163627  1
  H  H14  1  1.179349  0.859576  0.163627  1
  H  H15  1  0.846016  0.859576  0.163627  1
  H  H16  1  0.687394  0.128003  0.154992  1
  H  H17  1  0.354061  0.128003  0.154992  1
  H  H18  1  1.020728  0.128003  0.154992  1
  H  H19  1  1.201874  0.402821  0.146408  1
  H  H20  1  0.868541  0.402821  0.146408  1
  H  H21  1  0.535207  0.402821  0.146408  1
  H  H22  1  0.329672  0.585053  0.171861  1
  H  H23  1  0.996339  0.585053  0.171861  1
  H  H24  1  0.663006  0.585053  0.171861  1
  H  H25  1  0.293927  0.778559  0.192393  1
  H  H26  1  0.960594  0.778559  0.192393  1
  H  H27  1  0.627260  0.778559  0.192393  1
  H  H28  1  0.469530  1.051309  0.183933  1
  H  H29  1  1.136197  1.051309  0.183933  1
  H  H30  1  0.802863  1.051309  0.183933  1
  H  H31  1  0.984602  0.324545  0.175069  1
  H  H32  1  0.651269  0.324545  0.175069  1
  H  H33  1  0.317936  0.324545  0.175069  1
  H  H34  1  1.111563  0.505421  0.200989  1
  H  H35  1  0.778230  0.505421  0.200989  1
  H  H36  1  0.444896  0.505421  0.200989  1
  H  H37  1  1.076030  0.699680  0.221336  1
  H  H38  1  0.742697  0.699680  0.221336  1
  H  H39  1  0.409364  0.699680  0.221336  1
  H  H40  1  0.251590  0.971730  0.212762  1
  H  H41  1  0.918257  0.971730  0.212762  1
  H  H42  1  0.584923  0.971730  0.212762  1
  H  H43  1  0.766839  0.245984  0.204013  1
  H  H44  1  0.433506  0.245984  0.204013  1
  H  H45  1  1.100172  0.245984  0.204013  1
  H  H46  1  0.894106  0.426189  0.230045  1
  H  H47  1  0.560772  0.426189  0.230045  1
  H  H48  1  1.227439  0.426189  0.230045  1
  H  H49  1  0.858333  0.620714  0.250299  1
  H  H50  1  0.525000  0.620714  0.250299  1
  H  H51  1  1.191666  0.620714  0.250299  1
  H  H52  1  1.033809  0.892757  0.241695  1
  H  H53  1  0.700476  0.892757  0.241695  1
  H  H54  1  0.367142  0.892757  0.241695  1
  H  H55  1  0.549014  0.166646  0.232939  1
  H  H56  1  1.215681  0.166646  0.232939  1
  H  H57  1  0.882347  0.166646  0.232939  1
  H  H58  1  0.676347  0.346978  0.259031  1
  H  H59  1  0.343014  0.346978  0.259031  1
  H  H60  1  1.009681  0.346978  0.259031  1
  H  H61  1  0.640608  0.541668  0.279255  1
  H  H62  1  0.307275  0.541668  0.279255  1
  H  H63  1  0.973941  0.541668  0.279255  1
  H  H64  1  0.816095  0.813747  0.270645  1
  H  H65  1  0.482761  0.813747  0.270645  1
  H  H66  1  1.149428  0.813747  0.270645  1
  H  H67  1  0.331320  0.087579  0.261890  1
  H  H68  1  0.997987  0.087579  0.261890  1
  H  H69  1  0.664654  0.087579  0.261890  1
  H  H70  1  0.458666  0.267889  0.287999  1
  H  H71  1  1.125332  0.267889  0.287999  1
  H  H72  1  0.791999  0.267889  0.287999  1
  H  H73  1  0.422907  0.462626  0.308211  1
  H  H74  1  1.089574  0.462626  0.308211  1
  H  H75  1  0.756240  0.462626  0.308211  1
  H  H76  1  0.598383  0.734703  0.299597  1
  H  H77  1  0.265050  0.734703  0.299597  1
  H  H78  1  0.931716  0.734703  0.299597  1
  H  H79  1  1.113632  1.008526  0.290845  1
  H  H80  1  0.780299  1.008526  0.290845  1
  H  H81  1  0.446966  1.008526  0.290845  1
  H  H82  1  0.240978  0.188827  0.316961  1
  H  H83  1  0.907645  0.188827  0.316961  1
  H  H84  1  0.574311  0.188827  0.316961  1
  H  H85  1  1.205210  0.383584  0.337168  1
  H  H86  1  0.871876  0.383584  0.337168  1
  H  H87  1  0.538543  0.383584  0.337168  1
  H  H88  1  0.380682  0.655660  0.328553  1
  H  H89  1  1.047349  0.655660  0.328553  1
  H  H90  1  0.714016  0.655660  0.328553  1
  H  H91  1  0.895940  0.929471  0.319802  1
  H  H92  1  0.562607  0.929471  0.319802  1
  H  H93  1  1.229273  0.929471  0.319802  1
  H  H94  1  1.023286  0.109772  0.345919  1
  H  H95  1  0.689952  0.109772  0.345919  1
  H  H96  1  0.356619  0.109772  0.345919  1
  H  H97  1  0.987509  0.304540  0.366123  1
  H  H98  1  0.654176  0.304540  0.366123  1
  H  H99  1  0.320842  0.304540  0.366123  1
  H  H100  1  1.162985  0.576617  0.357509  1
  H  H101  1  0.829652  0.576617  0.357509  1
  H  H102  1  0.496318  0.576617  0.357509  1
  H  H103  1  0.678248  0.850417  0.348760  1
  H  H104  1  0.344914  0.850417  0.348760  1
  H  H105  1  1.011581  0.850417  0.348760  1
  H  H106  1  0.805593  1.030718  0.374875  1
  H  H107  1  0.472260  1.030718  0.374875  1
  H  H108  1  1.138926  1.030718  0.374875  1
  H  H109  1  0.769798  0.225497  0.395076  1
  H  H110  1  0.436464  0.225497  0.395076  1
  H  H111  1  1.103131  0.225497  0.395076  1
  H  H112  1  0.945284  0.497576  0.386466  1
  H  H113  1  0.611951  0.497576  0.386466  1
  H  H114  1  0.278617  0.497576  0.386466  1
  H  H115  1  0.460560  0.771355  0.377721  1
  H  H116  1  1.127226  0.771355  0.377721  1
  H  H117  1  0.793893  0.771355  0.377721  1
  H  H118  1  0.587905  0.951665  0.403830  1
  H  H119  1  0.254572  0.951665  0.403830  1
  H  H120  1  0.921239  0.951665  0.403830  1
  H  H121  1  0.552083  0.146487  0.424025  1
  H  H122  1  1.218750  0.146487  0.424025  1
  H  H123  1  0.885417  0.146487  0.424025  1
  H  H124  1  0.727559  0.418530  0.415422  1
  H  H125  1  0.394226  0.418530  0.415422  1
  H  H126  1  1.060893  0.418530  0.415422  1
  H  H127  1  0.242878  0.692266  0.406689  1
  H  H128  1  0.909545  0.692266  0.406689  1
  H  H129  1  0.576211  0.692266  0.406689  1
  H  H130  1  0.370211  0.872597  0.432782  1
  H  H131  1  1.036878  0.872597  0.432782  1
  H  H132  1  0.703545  0.872597  0.432782  1
  H  H133  1  0.334302  0.067513  0.452958  1
  H  H134  1  1.000969  0.067513  0.452958  1
  H  H135  1  0.667636  0.067513  0.452958  1
  H  H136  1  0.509862  0.339564  0.444384  1
  H  H137  1  1.176528  0.339564  0.444384  1
  H  H138  1  0.843195  0.339564  0.444384  1
  H  H139  1  1.025120  0.613055  0.435675  1
  H  H140  1  0.691787  0.613055  0.435675  1
  H  H141  1  0.358453  0.613055  0.435675  1
  H  H142  1  1.152386  0.793259  0.461708  1
  H  H143  1  0.819053  0.793259  0.461708  1
  H  H144  1  0.485720  0.793259  0.461708  1
  H  H145  1  1.116362  0.987935  0.481788  1
  H  H146  1  0.783029  0.987935  0.481788  1
  H  H147  1  0.449696  0.987935  0.481788  1
  H  H148  1  0.291965  0.260684  0.473327  1
  H  H149  1  0.958632  0.260684  0.473327  1
  H  H150  1  0.625298  0.260684  0.473327  1
  H  H151  1  0.807663  0.533823  0.464731  1
  H  H152  1  0.474329  0.533823  0.464731  1
  H  H153  1  1.140996  0.533823  0.464731  1
  H  H154  1  0.934623  0.714699  0.490651  1
  H  H155  1  0.601290  0.714699  0.490651  1
  H  H156  1  0.267956  0.714699  0.490651  1
  H  H157  1  0.898498  0.911241  0.510728  1
  H  H158  1  0.565164  0.911241  0.510728  1
  H  H159  1  0.231831  0.911241  0.510728  1
  H  H160  1  1.073210  0.179668  0.502093  1
  H  H161  1  0.739876  0.179668  0.502093  1
  H  H162  1  0.406543  0.179668  0.502093  1
  H  H163  1  0.589553  0.454191  0.493860  1
  H  H164  1  0.256220  0.454191  0.493860  1
  H  H165  1  0.922886  0.454191  0.493860  1
  H  H166  1  0.717352  0.636423  0.519312  1
  H  H167  1  0.384018  0.636423  0.519312  1
  H  H168  1  1.050685  0.636423  0.519312  1
  H  H169  1  0.686858  0.841820  0.539775  1
  H  H170  1  0.353525  0.841820  0.539775  1
  H  H171  1  1.020192  0.841820  0.539775  1
  H  H172  1  1.033317  0.116051  0.534773  1
  H  H173  1  0.699984  0.116051  0.534773  1
  H  H174  1  0.366651  0.116051  0.534773  1
  H  H175  1  0.363154  0.367258  0.523066  1
  H  H176  1  1.029821  0.367258  0.523066  1
  H  H177  1  0.696487  0.367258  0.523066  1
  H  H178  1  0.501515  0.556039  0.547996  1
  H  H179  1  1.168182  0.556039  0.547996  1
  H  H180  1  0.834849  0.556039  0.547996  1
