# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54887616
_cell_length_b   9.72750623
_cell_length_c   48.47293016
_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   H176
_cell_volume   3559.45159589
_cell_formula_units_Z   88
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  0.837648  0.976910  0.291291  1
  H  H2  1  0.823224  0.519848  0.271101  1
  H  H3  1  0.572612  1.099474  0.279627  1
  H  H4  1  0.564128  0.570459  0.299611  1
  H  H5  1  0.331739  0.246885  0.268324  1
  H  H6  1  0.324307  0.712152  0.288482  1
  H  H7  1  0.090048  1.114117  0.279794  1
  H  H8  1  0.083533  0.645558  0.259656  1
  H  H9  1  0.828973  0.220494  0.290129  1
  H  H10  1  0.817456  0.762838  0.270053  1
  H  H11  1  0.590190  0.360117  0.279540  1
  H  H12  1  0.589647  0.817165  0.299524  1
  H  H13  1  0.333365  0.498686  0.267566  1
  H  H14  1  0.327631  0.953510  0.287911  1
  H  H15  1  0.067925  0.366816  0.278175  1
  H  H16  1  0.085498  0.893645  0.259754  1
  H  H17  1  0.827746  0.871995  0.333481  1
  H  H18  1  0.828865  0.423852  0.313594  1
  H  H19  1  0.567657  1.011585  0.322929  1
  H  H20  1  0.566337  0.459210  0.341775  1
  H  H21  1  0.330784  1.155307  0.311406  1
  H  H22  1  0.329080  0.603659  0.331052  1
  H  H23  1  0.093399  1.010266  0.321856  1
  H  H24  1  0.091134  0.560701  0.302714  1
  H  H25  1  0.831071  1.112780  0.332186  1
  H  H26  1  0.827555  0.662811  0.312383  1
  H  H27  1  0.592815  0.256253  0.321242  1
  H  H28  1  0.590813  0.705755  0.341608  1
  H  H29  1  0.329052  0.395020  0.309432  1
  H  H30  1  0.328409  0.844205  0.329902  1
  H  H31  1  0.067224  0.258665  0.320621  1
  H  H32  1  0.061305  0.805082  0.302012  1
  H  H33  1  0.828673  0.765366  0.375114  1
  H  H34  1  0.828966  0.317273  0.354637  1
  H  H35  1  0.566553  0.903659  0.363751  1
  H  H36  1  0.567011  0.352571  0.383852  1
  H  H37  1  0.328757  1.049099  0.352566  1
  H  H38  1  0.329774  0.496944  0.372756  1
  H  H39  1  0.090728  0.904622  0.363273  1
  H  H40  1  0.091904  0.455281  0.343410  1
  H  H41  1  0.829096  1.006363  0.374022  1
  H  H42  1  0.828649  0.558355  0.353721  1
  H  H43  1  0.591949  1.151518  0.362986  1
  H  H44  1  0.591223  0.598496  0.383401  1
  H  H45  1  0.330087  0.290675  0.351170  1
  H  H46  1  0.329174  0.737606  0.371738  1
  H  H47  1  0.067022  1.151905  0.362558  1
  H  H48  1  0.066377  0.702146  0.343030  1
  H  H49  1  0.829102  0.658721  0.416774  1
  H  H50  1  0.829229  0.211632  0.396071  1
  H  H51  1  0.566791  0.797639  0.405125  1
  H  H52  1  0.566909  0.245213  0.425616  1
  H  H53  1  0.328936  0.942906  0.393855  1
  H  H54  1  0.329471  0.390136  0.414473  1
  H  H55  1  0.091485  0.798161  0.404935  1
  H  H56  1  0.091880  0.350111  0.384533  1
  H  H57  1  0.829255  0.899430  0.415738  1
  H  H58  1  0.829155  0.452306  0.395093  1
  H  H59  1  0.591657  1.044351  0.404564  1
  H  H60  1  0.591607  0.491623  0.425178  1
  H  H61  1  0.329580  0.183979  0.392775  1
  H  H62  1  0.329368  0.630759  0.413462  1
  H  H63  1  0.066708  1.044878  0.404361  1
  H  H64  1  0.067155  0.596597  0.384151  1
  H  H65  1  0.829226  0.552103  0.458394  1
  H  H66  1  0.829197  1.105276  0.437611  1
  H  H67  1  0.566821  0.691316  0.446661  1
  H  H68  1  0.566860  1.138407  0.467304  1
  H  H69  1  0.329190  0.836578  0.435388  1
  H  H70  1  0.329355  0.283365  0.456126  1
  H  H71  1  0.091672  0.691571  0.446581  1
  H  H72  1  0.091749  0.244239  0.425959  1
  H  H73  1  0.829287  0.792750  0.457375  1
  H  H74  1  0.829155  0.345934  0.436629  1
  H  H75  1  0.591717  0.937792  0.446163  1
  H  H76  1  0.591628  0.384798  0.466842  1
  H  H77  1  0.329309  1.077253  0.434358  1
  H  H78  1  0.329320  0.524009  0.455121  1
  H  H79  1  0.066773  0.938082  0.446070  1
  H  H80  1  0.066957  0.490656  0.425541  1
  H  H81  1  0.829257  0.445453  0.499992  1
  H  H82  1  0.829268  0.998734  0.479207  1
  H  H83  1  0.566839  0.584692  0.488245  1
  H  H84  1  0.566915  1.031796  0.508901  1
  H  H85  1  0.329255  0.729965  0.476971  1
  H  H86  1  0.329248  0.176717  0.497744  1
  H  H87  1  0.091692  0.584908  0.488196  1
  H  H88  1  0.091677  1.137881  0.467498  1
  H  H89  1  0.829255  0.686120  0.498979  1
  H  H90  1  0.829248  0.239368  0.478207  1
  H  H91  1  0.591692  0.831177  0.487755  1
  H  H92  1  0.591677  0.278204  0.508453  1
  H  H93  1  0.329257  0.970632  0.475959  1
  H  H94  1  0.329268  0.417351  0.496744  1
  H  H95  1  0.066839  0.831394  0.487706  1
  H  H96  1  0.066915  0.384289  0.467050  1
  H  H97  1  0.829309  0.338832  0.541593  1
  H  H98  1  0.829320  0.892076  0.520830  1
  H  H99  1  0.566773  0.478003  0.529881  1
  H  H100  1  0.566957  0.925429  0.550410  1
  H  H101  1  0.329287  0.623335  0.518575  1
  H  H102  1  0.329155  1.070151  0.539322  1
  H  H103  1  0.091717  0.478293  0.529788  1
  H  H104  1  0.091628  1.031287  0.509109  1
  H  H105  1  0.829190  0.579507  0.540562  1
  H  H106  1  0.829355  1.132720  0.519824  1
  H  H107  1  0.591672  0.724514  0.529370  1
  H  H108  1  0.591749  0.171846  0.549992  1
  H  H109  1  0.329226  0.863983  0.517556  1
  H  H110  1  0.329197  0.310809  0.538340  1
  H  H111  1  0.066821  0.724769  0.529289  1
  H  H112  1  0.066860  0.277678  0.508647  1
  H  H113  1  0.829580  0.232107  0.583175  1
  H  H114  1  0.829368  0.785326  0.562489  1
  H  H115  1  0.566708  0.371207  0.571589  1
  H  H116  1  0.567155  0.819488  0.591799  1
  H  H117  1  0.329255  0.516655  0.560213  1
  H  H118  1  0.329155  0.963779  0.580857  1
  H  H119  1  0.091657  0.371734  0.571387  1
  H  H120  1  0.091607  0.924462  0.550772  1
  H  H121  1  0.828936  0.473179  0.582096  1
  H  H122  1  0.829471  1.025949  0.561477  1
  H  H123  1  0.591485  0.617924  0.571015  1
  H  H124  1  0.591880  1.065974  0.591417  1
  H  H125  1  0.329102  0.757364  0.559176  1
  H  H126  1  0.329229  0.204454  0.579880  1
  H  H127  1  0.066791  0.618446  0.570826  1
  H  H128  1  0.066909  0.170872  0.550334  1
  H  H129  1  0.830087  1.125410  0.624780  1
  H  H130  1  0.829174  0.678479  0.604213  1
  H  H131  1  0.567022  0.264180  0.613393  1
  H  H132  1  0.566377  0.713940  0.632921  1
  H  H133  1  0.329096  0.409722  0.601929  1
  H  H134  1  0.328649  0.857730  0.622229  1
  H  H135  1  0.091949  0.264567  0.612964  1
  H  H136  1  0.091223  0.817590  0.592549  1
  H  H137  1  0.828757  0.366986  0.623384  1
  H  H138  1  0.829774  0.919141  0.603194  1
  H  H139  1  0.590728  0.511463  0.612678  1
  H  H140  1  0.591904  0.960804  0.632541  1
  H  H141  1  0.328673  0.650719  0.600836  1
  H  H142  1  0.328966  1.098812  0.621314  1
  H  H143  1  0.066553  0.512426  0.612199  1
  H  H144  1  0.067011  1.063514  0.592099  1
  H  H145  1  0.829052  1.021065  0.666518  1
  H  H146  1  0.828409  0.571880  0.646049  1
  H  H147  1  0.567224  1.157420  0.655329  1
  H  H148  1  0.561305  0.611003  0.673939  1
  H  H149  1  0.331071  0.303305  0.643765  1
  H  H150  1  0.327555  0.753274  0.663567  1
  H  H151  1  0.092815  1.159832  0.654708  1
  H  H152  1  0.090813  0.710330  0.634343  1
  H  H153  1  0.830784  0.260778  0.664544  1
  H  H154  1  0.829080  0.812426  0.644899  1
  H  H155  1  0.593399  0.405819  0.654095  1
  H  H156  1  0.591134  0.855384  0.673236  1
  H  H157  1  0.327746  0.544090  0.642469  1
  H  H158  1  0.328865  0.992233  0.662356  1
  H  H159  1  0.067657  0.404500  0.653022  1
  H  H160  1  0.066337  0.956875  0.634176  1
  H  H161  1  0.833365  0.917400  0.708384  1
  H  H162  1  0.827631  0.462575  0.688040  1
  H  H163  1  0.567925  1.049269  0.697775  1
  H  H164  1  0.585498  0.522440  0.716196  1
  H  H165  1  0.328973  0.195591  0.685822  1
  H  H166  1  0.317456  0.653247  0.705897  1
  H  H167  1  0.090190  1.055968  0.696410  1
  H  H168  1  0.089647  0.598920  0.676427  1
  H  H169  1  0.831739  0.169200  0.707627  1
  H  H170  1  0.824307  0.703933  0.687468  1
  H  H171  1  0.590048  0.301968  0.696156  1
  H  H172  1  0.583533  0.770527  0.716295  1
  H  H173  1  0.337648  0.439175  0.684660  1
  H  H174  1  0.323224  0.896237  0.704850  1
  H  H175  1  0.072612  0.316611  0.696324  1
  H  H176  1  0.064128  0.845626  0.676340  1
