# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49349342
_cell_length_b   15.50352457
_cell_length_c   46.58279385
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.10487818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H160
_cell_volume   3237.69349158
_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  0.307580  0.846154  0.317391  1
  H  H2  1  0.177751  0.356726  0.293758  1
  H  H3  1  0.271799  -0.019064  0.298446  1
  H  H4  1  0.396026  0.491517  0.283794  1
  H  H5  1  0.993983  0.091025  0.324495  1
  H  H6  1  1.120762  0.601219  0.309722  1
  H  H7  1  0.959950  0.223908  0.304770  1
  H  H8  1  1.084785  0.736489  0.291164  1
  H  H9  1  0.807580  0.846154  0.317391  1
  H  H10  1  0.677751  0.356726  0.293758  1
  H  H11  1  0.771799  -0.019064  0.298446  1
  H  H12  1  0.896026  0.491517  0.283794  1
  H  H13  1  0.493983  0.091025  0.324495  1
  H  H14  1  0.620762  0.601219  0.309722  1
  H  H15  1  0.459950  0.223908  0.304770  1
  H  H16  1  0.584785  0.736489  0.291164  1
  H  H17  1  1.063867  0.819612  0.361428  1
  H  H18  1  0.930599  0.331961  0.338251  1
  H  H19  1  1.027700  -0.043929  0.343451  1
  H  H20  1  1.154012  0.463662  0.327922  1
  H  H21  1  0.746585  0.067868  0.368639  1
  H  H22  1  0.879472  0.574707  0.353709  1
  H  H23  1  0.713768  0.202883  0.350193  1
  H  H24  1  0.842183  0.710359  0.336033  1
  H  H25  1  0.563867  0.819612  0.361428  1
  H  H26  1  0.430599  0.331961  0.338251  1
  H  H27  1  0.527700  -0.043929  0.343451  1
  H  H28  1  0.654012  0.463662  0.327922  1
  H  H29  1  0.246585  0.067868  0.368639  1
  H  H30  1  0.379472  0.574707  0.353709  1
  H  H31  1  0.213768  0.202883  0.350193  1
  H  H32  1  0.342183  0.710359  0.336033  1
  H  H33  1  0.817796  0.793766  0.405268  1
  H  H34  1  0.678176  0.311960  0.383303  1
  H  H35  1  0.782890  0.930048  0.386815  1
  H  H36  1  0.913668  0.439003  0.371090  1
  H  H37  1  0.500731  0.040971  0.411677  1
  H  H38  1  0.650253  0.543660  0.398131  1
  H  H39  1  0.461658  0.180889  0.395369  1
  H  H40  1  0.600373  0.682839  0.379856  1
  H  H41  1  0.317796  0.793766  0.405268  1
  H  H42  1  0.178176  0.311960  0.383303  1
  H  H43  1  0.282890  0.930048  0.386815  1
  H  H44  1  0.413668  0.439003  0.371090  1
  H  H45  1  1.000731  0.040971  0.411677  1
  H  H46  1  1.150253  0.543660  0.398131  1
  H  H47  1  0.961658  0.180889  0.395369  1
  H  H48  1  1.100373  0.682839  0.379856  1
  H  H49  1  0.572254  0.769265  0.449278  1
  H  H50  1  0.670443  0.275966  0.430299  1
  H  H51  1  0.536670  0.905039  0.430666  1
  H  H52  1  0.868125  0.407657  0.417851  1
  H  H53  1  0.248517  0.017702  0.455562  1
  H  H54  1  0.507237  0.522304  0.443576  1
  H  H55  1  0.454353  0.148628  0.443585  1
  H  H56  1  0.363746  0.656190  0.423651  1
  H  H57  1  1.072254  0.769265  0.449278  1
  H  H58  1  0.170443  0.275966  0.430299  1
  H  H59  1  1.036670  0.905039  0.430666  1
  H  H60  1  0.368125  0.407657  0.417851  1
  H  H61  1  0.748517  0.017702  0.455562  1
  H  H62  1  1.007237  0.522304  0.443576  1
  H  H63  1  0.954353  0.148628  0.443585  1
  H  H64  1  0.863746  0.656190  0.423651  1
  H  H65  1  0.361919  0.747979  0.493836  1
  H  H66  1  0.423972  0.259077  0.475364  1
  H  H67  1  0.286544  0.882489  0.474746  1
  H  H68  1  0.639499  0.389138  0.463104  1
  H  H69  1  0.994645  -0.003316  0.499756  1
  H  H70  1  0.328245  0.503531  0.488648  1
  H  H71  1  0.207101  0.127918  0.487905  1
  H  H72  1  0.183983  0.635147  0.468526  1
  H  H73  1  0.861919  0.747979  0.493836  1
  H  H74  1  0.923972  0.259077  0.475364  1
  H  H75  1  0.786544  0.882489  0.474746  1
  H  H76  1  1.139499  0.389138  0.463104  1
  H  H77  1  0.494645  -0.003316  0.499756  1
  H  H78  1  0.828245  0.503531  0.488648  1
  H  H79  1  0.707101  0.127918  0.487905  1
  H  H80  1  0.683983  0.635147  0.468526  1
  H  H81  1  0.198543  0.729840  0.539208  1
  H  H82  1  0.175426  0.237069  0.519829  1
  H  H83  1  1.054282  0.861455  0.519087  1
  H  H84  1  0.387881  0.368303  0.507979  1
  H  H85  1  0.743028  -0.024151  0.544631  1
  H  H86  1  1.095982  0.482498  0.532989  1
  H  H87  1  0.958555  0.105910  0.532370  1
  H  H88  1  1.020608  0.617008  0.513898  1
  H  H89  1  0.698543  0.729840  0.539208  1
  H  H90  1  0.675426  0.237069  0.519829  1
  H  H91  1  0.554282  0.861455  0.519087  1
  H  H92  1  0.887881  0.368303  0.507979  1
  H  H93  1  0.243028  -0.024151  0.544631  1
  H  H94  1  0.595982  0.482498  0.532989  1
  H  H95  1  0.458555  0.105910  0.532370  1
  H  H96  1  0.520608  0.617008  0.513898  1
  H  H97  1  1.018781  0.708797  0.584083  1
  H  H98  1  0.928174  0.216359  0.564150  1
  H  H99  1  0.875290  0.842682  0.564158  1
  H  H100  1  1.134010  0.347285  0.552172  1
  H  H101  1  0.514402  -0.042670  0.589883  1
  H  H102  1  0.845857  0.459948  0.577069  1
  H  H103  1  0.712084  0.089021  0.577436  1
  H  H104  1  0.810273  0.595722  0.558456  1
  H  H105  1  0.518781  0.708797  0.584083  1
  H  H106  1  0.428174  0.216359  0.564150  1
  H  H107  1  0.375290  0.842682  0.564158  1
  H  H108  1  0.634010  0.347285  0.552172  1
  H  H109  1  1.014402  -0.042670  0.589883  1
  H  H110  1  0.345857  0.459948  0.577069  1
  H  H111  1  0.212084  0.089021  0.577436  1
  H  H112  1  0.310273  0.595722  0.558456  1
  H  H113  1  0.782154  0.682148  0.627879  1
  H  H114  1  0.920869  0.184098  0.612366  1
  H  H115  1  0.732274  0.821327  0.609603  1
  H  H116  1  0.881796  0.324016  0.596058  1
  H  H117  1  0.468859  0.925984  0.636644  1
  H  H118  1  0.599637  0.434939  0.620920  1
  H  H119  1  0.704350  0.053027  0.624432  1
  H  H120  1  0.564731  0.571221  0.602467  1
  H  H121  1  0.282154  0.682148  0.627879  1
  H  H122  1  0.420869  0.184098  0.612366  1
  H  H123  1  0.232274  0.821327  0.609603  1
  H  H124  1  0.381796  0.324016  0.596058  1
  H  H125  1  0.968859  0.925984  0.636644  1
  H  H126  1  1.099637  0.434939  0.620920  1
  H  H127  1  0.204350  0.053027  0.624432  1
  H  H128  1  1.064731  0.571221  0.602467  1
  H  H129  1  0.540344  0.654627  0.671702  1
  H  H130  1  0.668759  0.162103  0.657541  1
  H  H131  1  0.503055  0.790280  0.654025  1
  H  H132  1  0.635942  0.297119  0.639096  1
  H  H133  1  0.228515  0.901325  0.679813  1
  H  H134  1  0.354827  0.408916  0.664284  1
  H  H135  1  0.451928  0.033026  0.669484  1
  H  H136  1  0.318660  0.545375  0.646306  1
  H  H137  1  1.040344  0.654627  0.671702  1
  H  H138  1  0.168759  0.162103  0.657541  1
  H  H139  1  1.003055  0.790280  0.654025  1
  H  H140  1  1.135942  0.297119  0.639096  1
  H  H141  1  0.728515  0.901325  0.679813  1
  H  H142  1  0.854827  0.408916  0.664284  1
  H  H143  1  0.951928  0.033026  0.669484  1
  H  H144  1  0.818660  0.545375  0.646306  1
  H  H145  1  0.297742  0.628498  0.716570  1
  H  H146  1  0.422577  0.141079  0.702965  1
  H  H147  1  0.261765  0.763768  0.698012  1
  H  H148  1  0.388544  0.273962  0.683240  1
  H  H149  1  0.986501  0.873470  0.723940  1
  H  H150  1  1.110728  0.384051  0.709289  1
  H  H151  1  0.204776  0.008260  0.713977  1
  H  H152  1  1.074947  0.518833  0.690343  1
  H  H153  1  0.797742  0.628498  0.716570  1
  H  H154  1  0.922577  0.141079  0.702965  1
  H  H155  1  0.761765  0.763768  0.698012  1
  H  H156  1  0.888544  0.273962  0.683240  1
  H  H157  1  0.486501  0.873470  0.723940  1
  H  H158  1  0.610728  0.384051  0.709289  1
  H  H159  1  0.704776  0.008260  0.713977  1
  H  H160  1  0.574947  0.518833  0.690343  1
