# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24827131
_cell_length_b   8.22444963
_cell_length_c   47.91435072
_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   H156
_cell_volume   3250.38938098
_cell_formula_units_Z   78
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  0.952151  0.823252  0.280077  1
  H  H2  1  0.996949  0.369839  0.300145  1
  H  H3  1  0.980158  0.095441  0.291115  1
  H  H4  1  0.523196  0.922544  0.316269  1
  H  H5  1  0.508812  0.644764  0.309124  1
  H  H6  1  0.492612  0.365636  0.299992  1
  H  H7  1  0.766173  0.779361  0.315780  1
  H  H8  1  0.753188  0.507400  0.303862  1
  H  H9  1  0.727511  0.219339  0.294397  1
  H  H10  1  0.224090  0.944818  0.286218  1
  H  H11  1  0.253262  0.501990  0.305800  1
  H  H12  1  0.244388  0.222125  0.296465  1
  H  H13  1  0.015474  0.638712  0.312913  1
  H  H14  1  0.056981  0.179190  0.334954  1
  H  H15  1  0.034538  0.906598  0.325240  1
  H  H16  1  0.598236  0.718862  0.353236  1
  H  H17  1  0.582736  0.449348  0.343235  1
  H  H18  1  0.550528  0.175728  0.333098  1
  H  H19  1  0.841092  0.581825  0.348817  1
  H  H20  1  0.818413  0.311941  0.337731  1
  H  H21  1  0.793173  0.039091  0.328247  1
  H  H22  1  0.270560  0.765679  0.319634  1
  H  H23  1  0.319420  0.313025  0.340422  1
  H  H24  1  0.290297  0.039820  0.330927  1
  H  H25  1  0.083670  0.447199  0.345099  1
  H  H26  1  0.121953  0.980141  0.368270  1
  H  H27  1  0.104985  0.712189  0.357200  1
  H  H28  1  0.681244  0.526054  0.387013  1
  H  H29  1  0.650501  0.251371  0.375859  1
  H  H30  1  0.617284  0.979538  0.364926  1
  H  H31  1  0.913693  0.385268  0.381755  1
  H  H32  1  0.882536  0.112667  0.371450  1
  H  H33  1  0.859164  0.843624  0.361213  1
  H  H34  1  0.346306  0.578426  0.350709  1
  H  H35  1  0.385811  0.118337  0.373266  1
  H  H36  1  0.363702  0.848606  0.361857  1
  H  H37  1  0.149795  0.250509  0.378195  1
  H  H38  1  0.196624  0.788519  0.400821  1
  H  H39  1  0.184868  0.519272  0.389186  1
  H  H40  1  0.665294  0.331250  0.421271  1
  H  H41  1  0.688950  0.060967  0.410067  1
  H  H42  1  0.692506  0.792487  0.399102  1
  H  H43  1  0.931180  0.193026  0.416183  1
  H  H44  1  0.943631  0.922722  0.405555  1
  H  H45  1  0.940774  0.653993  0.394156  1
  H  H46  1  0.422900  0.388183  0.383415  1
  H  H47  1  0.444135  0.926545  0.405963  1
  H  H48  1  0.443025  0.658585  0.394262  1
  H  H49  1  0.189466  0.057974  0.412009  1
  H  H50  1  0.134683  0.600065  0.433849  1
  H  H51  1  0.164806  0.328747  0.423127  1
  H  H52  1  0.594420  0.136040  0.454959  1
  H  H53  1  0.614783  0.868295  0.443917  1
  H  H54  1  0.636078  0.599889  0.432751  1
  H  H55  1  0.853637  0.001697  0.449285  1
  H  H56  1  0.874333  0.732855  0.438533  1
  H  H57  1  0.901101  0.462649  0.427411  1
  H  H58  1  0.427522  0.196889  0.417771  1
  H  H59  1  0.373770  0.736153  0.439219  1
  H  H60  1  0.396561  0.468383  0.428400  1
  H  H61  1  0.112639  0.868162  0.444738  1
  H  H62  1  0.069587  0.405867  0.466425  1
  H  H63  1  0.092001  0.135952  0.455621  1
  H  H64  1  0.525333  0.943615  0.488037  1
  H  H65  1  0.547667  0.674654  0.476847  1
  H  H66  1  0.570343  0.404973  0.465730  1
  H  H67  1  0.786937  0.808566  0.482078  1
  H  H68  1  0.809326  0.539399  0.471164  1
  H  H69  1  0.832532  0.270178  0.460106  1
  H  H70  1  0.352752  0.002799  0.450449  1
  H  H71  1  0.307614  0.541676  0.472076  1
  H  H72  1  0.330290  0.271904  0.461377  1
  H  H73  1  0.047154  0.675141  0.477295  1
  H  H74  1  0.003240  0.213098  0.498965  1
  H  H75  1  0.024717  0.943888  0.488129  1
  H  H76  1  0.721259  0.615996  0.514865  1
  H  H77  1  0.743736  0.346927  0.503797  1
  H  H78  1  0.503240  0.213098  0.498965  1
  H  H79  1  0.959326  0.751055  0.520636  1
  H  H80  1  0.981763  0.482308  0.509801  1
  H  H81  1  0.765578  0.077431  0.492990  1
  H  H82  1  0.285222  0.810199  0.483066  1
  H  H83  1  0.240902  0.348765  0.504941  1
  H  H84  1  0.262744  0.079269  0.494133  1
  H  H85  1  0.219543  0.617630  0.515852  1
  H  H86  1  0.173949  0.156018  0.537825  1
  H  H87  1  0.197155  0.886797  0.526766  1
  H  H88  1  0.653728  0.423397  0.547481  1
  H  H89  1  0.676191  0.154292  0.536553  1
  H  H90  1  0.698866  0.884520  0.525854  1
  H  H91  1  0.893841  0.558034  0.553192  1
  H  H92  1  0.914480  0.290244  0.542310  1
  H  H93  1  0.936893  0.020329  0.531505  1
  H  H94  1  0.481147  0.482581  0.509893  1
  H  H95  1  0.436137  0.021223  0.532200  1
  H  H96  1  0.458814  0.751542  0.521083  1
  H  H97  1  0.152844  0.424499  0.548646  1
  H  H98  1  0.105379  0.963547  0.570519  1
  H  H99  1  0.132147  0.693341  0.559397  1
  H  H100  1  0.578958  0.229307  0.580159  1
  H  H101  1  0.609920  0.957813  0.569531  1
  H  H102  1  0.632710  0.690043  0.558711  1
  H  H103  1  0.817014  0.368222  0.585921  1
  H  H104  1  0.841674  0.097449  0.574803  1
  H  H105  1  0.871797  0.826131  0.564081  1
  H  H106  1  0.412060  0.290156  0.542971  1
  H  H107  1  0.370402  0.826307  0.565179  1
  H  H108  1  0.391698  0.557901  0.554013  1
  H  H109  1  0.075301  0.233170  0.581747  1
  H  H110  1  0.065707  0.772203  0.603774  1
  H  H111  1  0.062850  0.503474  0.592375  1
  H  H112  1  0.583581  0.038013  0.614515  1
  H  H113  1  0.563456  0.767611  0.603669  1
  H  H114  1  0.562346  0.499650  0.591968  1
  H  H115  1  0.856685  0.175687  0.619736  1
  H  H116  1  0.821613  0.906924  0.608744  1
  H  H117  1  0.809857  0.637677  0.597110  1
  H  H118  1  0.341187  0.094946  0.576660  1
  H  H119  1  0.313974  0.633709  0.598828  1
  H  H120  1  0.317530  0.365229  0.587863  1
  H  H121  1  0.092788  0.040928  0.616175  1
  H  H122  1  0.147316  0.582571  0.636717  1
  H  H123  1  0.123944  0.313529  0.626481  1
  H  H124  1  0.660174  0.847770  0.647221  1
  H  H125  1  0.642779  0.577590  0.636073  1
  H  H126  1  0.620669  0.307859  0.624664  1
  H  H127  1  0.922811  0.978997  0.652831  1
  H  H128  1  0.901495  0.714006  0.640730  1
  H  H129  1  0.884528  0.446055  0.629660  1
  H  H130  1  0.325236  0.900142  0.610917  1
  H  H131  1  0.389196  0.446658  0.633004  1
  H  H132  1  0.355979  0.174825  0.622072  1
  H  H133  1  0.165389  0.844370  0.649114  1
  H  H134  1  0.213307  0.387105  0.669683  1
  H  H135  1  0.188068  0.114255  0.660199  1
  H  H136  1  0.735921  0.660517  0.678296  1
  H  H137  1  0.716184  0.386376  0.667003  1
  H  H138  1  0.687061  0.113171  0.657508  1
  H  H139  1  0.991006  0.787484  0.685017  1
  H  H140  1  0.971943  0.519598  0.672690  1
  H  H141  1  0.949500  0.247006  0.662976  1
  H  H142  1  0.408244  0.707334  0.644694  1
  H  H143  1  0.455953  0.250468  0.664833  1
  H  H144  1  0.423744  0.976848  0.654696  1
  H  H145  1  0.240308  0.646835  0.682150  1
  H  H146  1  0.278970  0.206857  0.703534  1
  H  H147  1  0.253293  0.918796  0.694068  1
  H  H148  1  0.782390  0.481378  0.711712  1
  H  H149  1  0.762092  0.204071  0.701465  1
  H  H150  1  0.753218  0.924206  0.692130  1
  H  H151  1  0.054329  0.602944  0.717854  1
  H  H152  1  0.026322  0.330755  0.706815  1
  H  H153  1  0.009531  0.056357  0.697785  1
  H  H154  1  0.483285  0.503652  0.681661  1
  H  H155  1  0.513869  0.060560  0.697938  1
  H  H156  1  0.497668  0.781431  0.688806  1
