# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23515895
_cell_length_b   8.11280395
_cell_length_c   48.46958805
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.01445100
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H160
_cell_volume   3230.43294969
_cell_formula_units_Z   80
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  0.406890  0.340578  0.291250  1
  H  H2  1  0.956818  0.390725  0.269884  1
  H  H3  1  0.490225  0.616406  0.281510  1
  H  H4  1  0.958818  0.568805  0.306413  1
  H  H5  1  0.373991  0.798015  0.314807  1
  H  H6  1  0.908680  0.840068  0.292287  1
  H  H7  1  0.322833  0.069768  0.301783  1
  H  H8  1  0.866687  0.117098  0.279638  1
  H  H9  1  1.141014  0.310821  0.303462  1
  H  H10  1  0.678398  0.364081  0.280679  1
  H  H11  1  0.217517  0.581662  0.291958  1
  H  H12  1  0.769280  0.633431  0.271134  1
  H  H13  1  0.179227  0.863155  0.280429  1
  H  H14  1  0.638847  0.822194  0.303154  1
  H  H15  1  1.055033  0.049689  0.314057  1
  H  H16  1  0.591348  0.092787  0.290442  1
  H  H17  1  0.342607  0.257157  0.337173  1
  H  H18  1  0.872974  0.302111  0.315506  1
  H  H19  1  0.427703  0.526639  0.326788  1
  H  H20  1  0.896873  0.486661  0.350308  1
  H  H21  1  0.309677  0.716177  0.359521  1
  H  H22  1  0.840621  0.760113  0.337367  1
  H  H23  1  0.254800  -0.011499  0.347356  1
  H  H24  1  0.787493  0.031949  0.325000  1
  H  H25  1  1.075944  0.237189  0.348750  1
  H  H26  1  0.607192  0.279683  0.325961  1
  H  H27  1  1.163921  0.504077  0.338313  1
  H  H28  1  0.692953  0.549734  0.316324  1
  H  H29  1  1.108921  0.777034  0.326116  1
  H  H30  1  0.575233  0.737875  0.348337  1
  H  H31  1  0.988256  -0.032226  0.358681  1
  H  H32  1  0.521105  0.010239  0.336181  1
  H  H33  1  0.280520  0.174193  0.382118  1
  H  H34  1  0.810115  0.216461  0.359933  1
  H  H35  1  0.365070  0.443937  0.371938  1
  H  H36  1  0.830094  0.402530  0.394781  1
  H  H37  1  0.244365  0.634786  0.404236  1
  H  H38  1  0.776875  0.676397  0.382006  1
  H  H39  1  0.191231  0.905819  0.392383  1
  H  H40  1  0.722014  -0.052217  0.369935  1
  H  H41  1  1.015682  0.153086  0.393486  1
  H  H42  1  0.545332  0.195597  0.370922  1
  H  H43  1  1.098433  0.423358  0.383417  1
  H  H44  1  0.630903  0.464914  0.360729  1
  H  H45  1  1.043671  0.696134  0.370668  1
  H  H46  1  0.510901  0.655194  0.393070  1
  H  H47  1  0.926101  0.885382  0.403695  1
  H  H48  1  0.456508  0.926497  0.381121  1
  H  H49  1  0.221908  0.090595  0.427536  1
  H  H50  1  0.750876  0.132185  0.404835  1
  H  H51  1  0.292417  0.360347  0.417117  1
  H  H52  1  0.747911  0.317037  0.439840  1
  H  H53  1  1.169442  0.549659  0.448819  1
  H  H54  1  0.708851  0.593258  0.426630  1
  H  H55  1  1.132673  0.823579  0.437535  1
  H  H56  1  0.661138  0.864985  0.414993  1
  H  H57  1  0.957434  0.069348  0.439054  1
  H  H58  1  0.486279  0.111415  0.416098  1
  H  H59  1  1.021350  0.338942  0.428431  1
  H  H60  1  0.561647  0.381628  0.405892  1
  H  H61  1  0.977081  0.614267  0.415362  1
  H  H62  1  0.439783  0.571700  0.437748  1
  H  H63  1  0.868174  0.801739  0.448873  1
  H  H64  1  0.396858  0.844429  0.426221  1
  H  H65  1  1.163009  0.001608  0.473683  1
  H  H66  1  0.692707  0.047307  0.450588  1
  H  H67  1  0.196773  0.272673  0.462857  1
  H  H68  1  0.645164  0.227576  0.485750  1
  H  H69  1  1.074031  0.458208  0.493901  1
  H  H70  1  0.624468  0.503774  0.471221  1
  H  H71  1  1.074059  0.732779  0.482962  1
  H  H72  1  0.603484  0.779173  0.460251  1
  H  H73  1  0.898463  -0.022039  0.485207  1
  H  H74  1  0.427862  0.024651  0.462116  1
  H  H75  1  0.920946  0.250176  0.474335  1
  H  H76  1  0.472701  0.294895  0.451311  1
  H  H77  1  0.897870  0.526955  0.459966  1
  H  H78  1  0.349600  0.480870  0.482495  1
  H  H79  1  0.809542  0.708941  0.494375  1
  H  H80  1  0.338702  0.756247  0.471590  1
  H  H81  1  1.104837  0.906856  0.519473  1
  H  H82  1  0.633997  -0.045839  0.496687  1
  H  H83  1  1.093939  0.182233  0.508567  1
  H  H84  1  0.545669  0.136148  0.531096  1
  H  H85  1  0.970838  0.368208  0.539751  1
  H  H86  1  0.522593  0.412927  0.516727  1
  H  H87  1  1.015677  0.638452  0.528946  1
  H  H88  1  0.545076  0.685142  0.505855  1
  H  H89  1  0.840055  0.883929  0.530811  1
  H  H90  1  0.369480  0.930324  0.508101  1
  H  H91  1  0.819071  0.159329  0.519842  1
  H  H92  1  0.369508  0.204895  0.497161  1
  H  H93  1  0.798375  0.435527  0.505312  1
  H  H94  1  0.246766  0.390430  0.528205  1
  H  H95  1  0.750832  0.615796  0.540474  1
  H  H96  1  0.280530  0.661495  0.517379  1
  H  H97  1  1.046681  0.818673  0.564841  1
  H  H98  1  0.575365  0.861364  0.542189  1
  H  H99  1  1.003756  0.091403  0.553314  1
  H  H100  1  0.466458  0.048836  0.575700  1
  H  H101  1  0.881892  0.281475  0.585170  1
  H  H102  1  0.422189  0.324161  0.562631  1
  H  H103  1  0.957260  0.551688  0.574964  1
  H  H104  1  0.486105  0.593755  0.552008  1
  H  H105  1  0.782401  0.798118  0.576069  1
  H  H106  1  0.310866  0.839523  0.553528  1
  H  H107  1  0.734689  0.069845  0.564432  1
  H  H108  1  0.274097  0.113444  0.542243  1
  H  H109  1  0.695628  0.346066  0.551222  1
  H  H110  1  1.151122  0.302756  0.573946  1
  H  H111  1  0.692663  0.530918  0.586227  1
  H  H112  1  0.221631  0.572508  0.563526  1
  H  H113  1  0.987031  0.736606  0.609941  1
  H  H114  1  0.517438  0.777721  0.587367  1
  H  H115  1  0.932638  0.007909  0.597992  1
  H  H116  1  0.399868  -0.033032  0.620394  1
  H  H117  1  0.812636  0.198189  0.630334  1
  H  H118  1  0.345106  0.239744  0.607645  1
  H  H119  1  0.898207  0.467506  0.620140  1
  H  H120  1  0.427857  0.510017  0.597577  1
  H  H121  1  0.721525  0.715320  0.621128  1
  H  H122  1  0.252308  0.757284  0.598680  1
  H  H123  1  0.666664  -0.013294  0.609056  1
  H  H124  1  0.199175  0.028317  0.586826  1
  H  H125  1  0.613445  0.260573  0.596281  1
  H  H126  1  1.078469  0.219166  0.619124  1
  H  H127  1  0.633424  0.446642  0.631129  1
  H  H128  1  1.163019  0.488909  0.608944  1
  H  H129  1  0.922434  0.652863  0.654882  1
  H  H130  1  0.455283  0.695329  0.632381  1
  H  H131  1  0.868307  0.925228  0.642726  1
  H  H132  1  0.334618  0.886069  0.664946  1
  H  H133  1  0.750586  0.113369  0.674738  1
  H  H134  1  0.279618  0.159026  0.652749  1
  H  H135  1  0.836347  0.383420  0.665102  1
  H  H136  1  0.367595  0.425914  0.642312  1
  H  H137  1  0.656046  0.631154  0.666062  1
  H  H138  1  0.188739  0.674602  0.643706  1
  H  H139  1  0.602918  0.902990  0.653696  1
  H  H140  1  1.133862  -0.053075  0.631541  1
  H  H141  1  0.546666  0.176442  0.640754  1
  H  H142  1  1.015836  0.136464  0.664274  1
  H  H143  1  0.570565  0.360992  0.675556  1
  H  H144  1  1.100932  0.405946  0.653889  1
  H  H145  1  0.852191  0.570316  0.700620  1
  H  H146  1  0.388507  0.613414  0.677005  1
  H  H147  1  0.804692  0.840909  0.687908  1
  H  H148  1  0.264312  0.799948  0.710633  1
  H  H149  1  0.674260  0.029672  0.719928  1
  H  H150  1  0.226022  0.081441  0.699104  1
  H  H151  1  0.765141  0.299022  0.710383  1
  H  H152  1  0.302525  0.352282  0.687600  1
  H  H153  1  0.576853  0.546005  0.711424  1
  H  H154  1  1.120706  0.593335  0.689279  1
  H  H155  1  0.534859  0.823035  0.698775  1
  H  H156  1  1.069548  0.865087  0.676255  1
  H  H157  1  0.484721  0.094298  0.684649  1
  H  H158  1  0.953314  0.046697  0.709552  1
  H  H159  1  0.486721  0.272378  0.721178  1
  H  H160  1  1.036649  0.322525  0.699812  1
