# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51199235
_cell_length_b   7.77182279
_cell_length_c   44.43588309
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.79628284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   3144.8041755
_cell_formula_units_Z   72
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  0.859813  0.178367  0.305534  1
  H  H2  1  0.489854  0.140036  0.307628  1
  H  H3  1  0.640239  0.977425  0.323686  1
  H  H4  1  0.193653  0.179277  0.304814  1
  H  H5  1  0.258024  0.941076  0.324780  1
  H  H6  1  0.160605  0.641934  0.307474  1
  H  H7  1  0.963609  0.965290  0.321496  1
  H  H8  1  0.832496  0.655504  0.305967  1
  H  H9  1  0.547359  0.687141  0.305239  1
  H  H10  1  0.937466  0.455741  0.326162  1
  H  H11  1  0.603892  0.443601  0.323881  1
  H  H12  1  0.714499  0.258385  0.343345  1
  H  H13  1  0.317140  0.480634  0.322506  1
  H  H14  1  0.371577  0.250076  0.343900  1
  H  H15  1  0.405320  0.783112  0.340222  1
  H  H16  1  0.078233  0.289417  0.341090  1
  H  H17  1  0.030669  0.748237  0.344236  1
  H  H18  1  0.732849  0.774286  0.343094  1
  H  H19  1  0.177792  0.588095  0.358696  1
  H  H20  1  0.801733  0.551667  0.361261  1
  H  H21  1  0.945579  0.390915  0.376678  1
  H  H22  1  0.500320  0.577643  0.359224  1
  H  H23  1  0.575106  0.358578  0.377994  1
  H  H24  1  0.488299  0.065141  0.359986  1
  H  H25  1  0.264534  0.379403  0.377235  1
  H  H26  1  0.139383  0.058104  0.360244  1
  H  H27  1  0.849990  0.087124  0.358324  1
  H  H28  1  0.261217  0.876904  0.376697  1
  H  H29  1  0.912684  0.862936  0.378883  1
  H  H30  1  0.034129  0.681225  0.394737  1
  H  H31  1  0.612740  0.890552  0.376381  1
  H  H32  1  0.680673  0.665920  0.396009  1
  H  H33  1  0.715824  0.194815  0.393689  1
  H  H34  1  0.380750  0.693973  0.393298  1
  H  H35  1  0.347186  0.164856  0.395541  1
  H  H36  1  0.031495  0.180591  0.394995  1
  H  H37  1  0.484897  -0.000309  0.411260  1
  H  H38  1  0.120055  0.970473  0.412831  1
  H  H39  1  0.255338  0.802815  0.428559  1
  H  H40  1  0.796666  0.981438  0.412537  1
  H  H41  1  0.890566  0.775745  0.430517  1
  H  H42  1  0.805633  0.488386  0.412170  1
  H  H43  1  0.563633  0.783117  0.429980  1
  H  H44  1  0.450070  0.470192  0.412936  1
  H  H45  1  0.148221  0.495276  0.411484  1
  H  H46  1  0.577239  0.295097  0.429155  1
  H  H47  1  0.219914  0.272953  0.430575  1
  H  H48  1  0.348666  0.099700  0.446751  1
  H  H49  1  0.914899  0.297305  0.429226  1
  H  H50  1  -0.011009  0.075775  0.447900  1
  H  H51  1  0.024735  0.606972  0.446388  1
  H  H52  1  0.682671  0.101066  0.446693  1
  H  H53  1  0.660639  0.580693  0.447963  1
  H  H54  1  0.332757  0.585538  0.447461  1
  H  H55  1  0.794047  0.411467  0.464003  1
  H  H56  1  0.431165  0.385060  0.465279  1
  H  H57  1  0.563876  0.216058  0.481464  1
  H  H58  1  0.101189  0.387917  0.465003  1
  H  H59  1  0.201334  0.189126  0.482742  1
  H  H60  1  0.119489  0.904367  0.464090  1
  H  H61  1  0.870067  0.191182  0.482428  1
  H  H62  1  0.757472  0.879892  0.465391  1
  H  H63  1  0.452047  0.904290  0.464273  1
  H  H64  1  0.888990  0.709070  0.481627  1
  H  H65  1  0.526888  0.683447  0.482945  1
  H  H66  1  0.658795  0.513398  0.499192  1
  H  H67  1  0.221745  0.708064  0.481728  1
  H  H68  1  0.296353  0.487187  0.500385  1
  H  H69  1  0.333973  0.020246  0.498979  1
  H  H70  1  -0.008801  0.512099  0.499229  1
  H  H71  1  0.971351  -0.006515  0.500139  1
  H  H72  1  0.639271  -0.004468  0.500020  1
  H  H73  1  0.103581  0.824203  0.516392  1
  H  H74  1  0.741139  0.797992  0.517586  1
  H  H75  1  0.873046  0.627943  0.533832  1
  H  H76  1  0.408735  0.799291  0.517549  1
  H  H77  1  0.510944  0.602320  0.535151  1
  H  H78  1  0.428584  0.317905  0.516638  1
  H  H79  1  0.178189  0.603326  0.535050  1
  H  H80  1  0.065961  0.291144  0.517799  1
  H  H81  1  0.760663  0.315858  0.516758  1
  H  H82  1  0.198600  0.122264  0.534035  1
  H  H83  1  0.836058  0.095332  0.535314  1
  H  H84  1  0.968770  0.926330  0.551498  1
  H  H85  1  0.529868  0.120208  0.534350  1
  H  H86  1  0.605887  0.899923  0.552775  1
  H  H87  1  0.642462  0.431498  0.551386  1
  H  H88  1  0.298745  0.923473  0.551774  1
  H  H89  1  0.280445  0.407023  0.552687  1
  H  H90  1  0.947887  0.407100  0.552505  1
  H  H91  1  0.410943  0.235616  0.568878  1
  H  H92  1  0.051268  0.211690  0.570027  1
  H  H93  1  0.180020  0.038437  0.586203  1
  H  H94  1  0.717263  0.210325  0.570084  1
  H  H95  1  0.822695  0.016293  0.587622  1
  H  H96  1  0.739295  0.730698  0.568815  1
  H  H97  1  0.485035  0.014086  0.587552  1
  H  H98  1  0.375199  0.704418  0.570389  1
  H  H99  1  0.067177  0.725852  0.569317  1
  H  H100  1  0.509368  0.535645  0.586260  1
  H  H101  1  0.144596  0.508575  0.588218  1
  H  H102  1  0.279879  0.340917  0.603947  1
  H  H103  1  0.836301  0.528273  0.586798  1
  H  H104  1  0.915037  0.311699  0.605518  1
  H  H105  1  0.949864  0.841198  0.603842  1
  H  H106  1  0.603268  0.329952  0.604240  1
  H  H107  1  0.594301  0.823004  0.604607  1
  H  H108  1  0.251713  0.816114  0.605294  1
  H  H109  1  0.719261  0.645470  0.620768  1
  H  H110  1  0.365805  0.630165  0.622041  1
  H  H111  1  0.487250  0.448454  0.637895  1
  H  H112  1  0.019184  0.617417  0.623479  1
  H  H113  1  0.138717  0.434487  0.640080  1
  H  H114  1  0.052748  0.146534  0.621236  1
  H  H115  1  0.787194  0.420838  0.640396  1
  H  H116  1  0.684111  0.116575  0.623088  1
  H  H117  1  0.368439  0.130799  0.621783  1
  H  H118  1  0.824829  0.952812  0.638783  1
  H  H119  1  0.454355  0.920475  0.640099  1
  H  H120  1  0.598201  0.759723  0.655517  1
  H  H121  1  0.135400  0.931987  0.639543  1
  H  H122  1  0.222142  0.723295  0.658082  1
  H  H123  1  0.260551  0.253286  0.656534  1
  H  H124  1  0.899614  0.733747  0.657553  1
  H  H125  1  0.911635  0.246249  0.656792  1
  H  H126  1  0.549944  0.224266  0.658454  1
  H  H127  1  0.028357  0.061314  0.672878  1
  H  H128  1  0.685436  0.053006  0.673433  1
  H  H129  1  0.796042  0.867789  0.692896  1
  H  H130  1  0.321701  0.021973  0.675687  1
  H  H131  1  0.462468  0.855649  0.690615  1
  H  H132  1  0.369265  0.563153  0.672542  1
  H  H133  1  0.082794  0.830756  0.694271  1
  H  H134  1  -0.005385  0.528278  0.676556  1
  H  H135  1  0.667085  0.537104  0.673684  1
  H  H136  1  0.141910  0.370314  0.691998  1
  H  H137  1  0.759695  0.333966  0.693092  1
  H  H138  1  0.910080  0.171354  0.709150  1
  H  H139  1  0.436325  0.346100  0.695281  1
  H  H140  1  0.540121  0.133023  0.711243  1
  H  H141  1  0.567438  0.655887  0.710811  1
  H  H142  1  0.206282  0.132113  0.711963  1
  H  H143  1  0.239329  0.669456  0.709304  1
  H  H144  1  0.852575  0.624249  0.711538  1
