# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61216459
_cell_length_b   8.62727821
_cell_length_c   46.55845127
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.23340427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3060.94585419
_cell_formula_units_Z   90
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  0.701120  0.299776  0.285272  1
  H  H2  1  0.367786  0.966443  0.285272  1
  H  H3  1  0.377345  0.290241  0.292680  1
  H  H4  1  0.053570  0.280705  0.300087  1
  H  H5  1  0.034453  0.633110  0.285272  1
  H  H6  1  0.044012  0.956907  0.292680  1
  H  H7  1  0.720237  0.947372  0.300087  1
  H  H8  1  0.710678  0.623574  0.292680  1
  H  H9  1  0.358228  0.642645  0.277865  1
  H  H10  1  0.726921  0.274037  0.305267  1
  H  H11  1  0.393588  0.940703  0.305267  1
  H  H12  1  0.403147  0.264501  0.312675  1
  H  H13  1  0.079372  0.254965  0.320082  1
  H  H14  1  0.060255  0.607370  0.305267  1
  H  H15  1  0.069813  0.931168  0.312675  1
  H  H16  1  0.746039  0.921632  0.320082  1
  H  H17  1  0.736480  0.597834  0.312675  1
  H  H18  1  0.384029  0.616906  0.297860  1
  H  H19  1  0.757450  0.243582  0.328925  1
  H  H20  1  0.424116  0.910249  0.328925  1
  H  H21  1  0.433675  0.234046  0.336332  1
  H  H22  1  0.109901  0.224510  0.343740  1
  H  H23  1  0.090783  0.576915  0.328925  1
  H  H24  1  0.100342  0.900713  0.336332  1
  H  H25  1  0.776567  0.891177  0.343740  1
  H  H26  1  0.767008  0.567379  0.336332  1
  H  H27  1  0.414558  0.586451  0.321517  1
  H  H28  1  0.785444  0.215655  0.350618  1
  H  H29  1  0.452110  0.882322  0.350618  1
  H  H30  1  0.461669  0.206120  0.358026  1
  H  H31  1  0.137894  0.196584  0.365433  1
  H  H32  1  0.118777  0.548989  0.350618  1
  H  H33  1  0.128336  0.872786  0.358026  1
  H  H34  1  0.804561  0.863251  0.365433  1
  H  H35  1  0.795002  0.539453  0.358026  1
  H  H36  1  0.442552  0.558524  0.343211  1
  H  H37  1  0.814482  0.186687  0.373121  1
  H  H38  1  0.481148  0.853354  0.373121  1
  H  H39  1  0.490707  0.177152  0.380528  1
  H  H40  1  0.166932  0.167616  0.387936  1
  H  H41  1  0.147815  0.520021  0.373121  1
  H  H42  1  0.157374  0.843818  0.380528  1
  H  H43  1  0.833599  0.834283  0.387936  1
  H  H44  1  0.824040  0.510485  0.380528  1
  H  H45  1  0.471590  0.529556  0.365713  1
  H  H46  1  0.843017  0.158221  0.395234  1
  H  H47  1  0.509683  0.824888  0.395234  1
  H  H48  1  0.519242  0.148685  0.402641  1
  H  H49  1  0.195467  0.139150  0.410049  1
  H  H50  1  0.176350  0.491554  0.395234  1
  H  H51  1  0.185909  0.815352  0.402641  1
  H  H52  1  0.862134  0.805816  0.410049  1
  H  H53  1  0.852575  0.482019  0.402641  1
  H  H54  1  0.500125  0.501090  0.387826  1
  H  H55  1  0.871780  0.129527  0.417524  1
  H  H56  1  0.538447  0.796193  0.417524  1
  H  H57  1  0.548006  0.119991  0.424931  1
  H  H58  1  0.224231  0.110455  0.432339  1
  H  H59  1  0.205114  0.462860  0.417524  1
  H  H60  1  0.214672  0.786658  0.424931  1
  H  H61  1  0.890898  0.777122  0.432339  1
  H  H62  1  0.881339  0.453324  0.424931  1
  H  H63  1  0.528888  0.472396  0.410116  1
  H  H64  1  0.900436  0.100940  0.439731  1
  H  H65  1  0.567103  0.767606  0.439731  1
  H  H66  1  0.576662  0.091404  0.447138  1
  H  H67  1  0.252887  0.081868  0.454545  1
  H  H68  1  0.233770  0.434273  0.439731  1
  H  H69  1  0.243328  0.758071  0.447138  1
  H  H70  1  0.919554  0.748535  0.454545  1
  H  H71  1  0.909995  0.424737  0.447138  1
  H  H72  1  0.557544  0.443809  0.432323  1
  H  H73  1  0.929143  0.072302  0.461976  1
  H  H74  1  0.595810  0.738969  0.461976  1
  H  H75  1  0.605368  0.062766  0.469384  1
  H  H76  1  0.281594  0.053231  0.476791  1
  H  H77  1  0.262476  0.405635  0.461976  1
  H  H78  1  0.272035  0.729433  0.469384  1
  H  H79  1  0.948261  0.719897  0.476791  1
  H  H80  1  0.938702  0.396100  0.469384  1
  H  H81  1  0.586251  0.415171  0.454569  1
  H  H82  1  0.957824  0.043690  0.484203  1
  H  H83  1  0.624491  0.710356  0.484203  1
  H  H84  1  0.634050  0.034154  0.491610  1
  H  H85  1  0.310275  0.024618  0.499017  1
  H  H86  1  0.291158  0.377023  0.484203  1
  H  H87  1  0.300717  0.700821  0.491610  1
  H  H88  1  0.976942  0.691285  0.499017  1
  H  H89  1  0.967383  0.367487  0.491610  1
  H  H90  1  0.614932  0.386559  0.476795  1
  H  H91  1  0.986521  0.015062  0.506441  1
  H  H92  1  0.653188  0.681729  0.506441  1
  H  H93  1  0.662747  0.005526  0.513848  1
  H  H94  1  0.338972  0.995991  0.521256  1
  H  H95  1  0.319855  0.348395  0.506441  1
  H  H96  1  0.329414  0.672193  0.513848  1
  H  H97  1  0.005639  0.662657  0.521256  1
  H  H98  1  0.996080  0.338860  0.513848  1
  H  H99  1  0.643629  0.357931  0.499034  1
  H  H100  1  0.015203  0.986450  0.528667  1
  H  H101  1  0.681870  0.653116  0.528667  1
  H  H102  1  0.691428  0.976914  0.536075  1
  H  H103  1  0.367654  0.967378  0.543482  1
  H  H104  1  0.348536  0.319783  0.528667  1
  H  H105  1  0.358095  0.643581  0.536075  1
  H  H106  1  0.034320  0.634045  0.543482  1
  H  H107  1  0.024762  0.310247  0.536075  1
  H  H108  1  0.672311  0.329319  0.521260  1
  H  H109  1  0.043910  0.957812  0.550913  1
  H  H110  1  0.710576  0.624479  0.550913  1
  H  H111  1  0.720135  0.948276  0.558321  1
  H  H112  1  0.396360  0.938741  0.565728  1
  H  H113  1  0.377243  0.291145  0.550913  1
  H  H114  1  0.386802  0.614943  0.558321  1
  H  H115  1  0.063027  0.605407  0.565728  1
  H  H116  1  0.053468  0.281610  0.558321  1
  H  H117  1  0.701017  0.300681  0.543506  1
  H  H118  1  0.072566  0.929225  0.573120  1
  H  H119  1  0.739232  0.595892  0.573120  1
  H  H120  1  0.748791  0.919689  0.580527  1
  H  H121  1  0.425016  0.910154  0.587935  1
  H  H122  1  0.405899  0.262558  0.573120  1
  H  H123  1  0.415458  0.586356  0.580527  1
  H  H124  1  0.091683  0.576820  0.587935  1
  H  H125  1  0.082124  0.253023  0.580527  1
  H  H126  1  0.729674  0.272094  0.565713  1
  H  H127  1  0.101329  0.900531  0.595410  1
  H  H128  1  0.767996  0.567197  0.595410  1
  H  H129  1  0.777555  0.890995  0.602817  1
  H  H130  1  0.453780  0.881459  0.610225  1
  H  H131  1  0.434663  0.233864  0.595410  1
  H  H132  1  0.444221  0.557662  0.602817  1
  H  H133  1  0.120447  0.548126  0.610225  1
  H  H134  1  0.110888  0.224328  0.602817  1
  H  H135  1  0.758437  0.243400  0.588003  1
  H  H136  1  0.129864  0.872064  0.617523  1
  H  H137  1  0.796531  0.538731  0.617523  1
  H  H138  1  0.806090  0.862529  0.624930  1
  H  H139  1  0.482315  0.852993  0.632338  1
  H  H140  1  0.463198  0.205398  0.617523  1
  H  H141  1  0.472756  0.529195  0.624930  1
  H  H142  1  0.148982  0.519660  0.632338  1
  H  H143  1  0.139423  0.195862  0.624930  1
  H  H144  1  0.786972  0.214933  0.610115  1
  H  H145  1  0.158902  0.843096  0.640025  1
  H  H146  1  0.825569  0.509763  0.640025  1
  H  H147  1  0.835128  0.833561  0.647433  1
  H  H148  1  0.511353  0.824025  0.654840  1
  H  H149  1  0.492236  0.176430  0.640025  1
  H  H150  1  0.501794  0.500227  0.647433  1
  H  H151  1  0.178020  0.490692  0.654840  1
  H  H152  1  0.168461  0.166894  0.647433  1
  H  H153  1  0.816010  0.185965  0.632618  1
  H  H154  1  0.186896  0.815170  0.661719  1
  H  H155  1  0.853563  0.481836  0.661719  1
  H  H156  1  0.863122  0.805634  0.669126  1
  H  H157  1  0.539347  0.796098  0.676534  1
  H  H158  1  0.520230  0.148503  0.661719  1
  H  H159  1  0.529788  0.472301  0.669126  1
  H  H160  1  0.206014  0.462765  0.676534  1
  H  H161  1  0.196455  0.138967  0.669126  1
  H  H162  1  0.844004  0.158039  0.654312  1
  H  H163  1  0.217425  0.784715  0.685377  1
  H  H164  1  0.884091  0.451382  0.685377  1
  H  H165  1  0.893650  0.775179  0.692784  1
  H  H166  1  0.569875  0.765644  0.700191  1
  H  H167  1  0.550758  0.118048  0.685377  1
  H  H168  1  0.560317  0.441846  0.692784  1
  H  H169  1  0.236542  0.432310  0.700191  1
  H  H170  1  0.226983  0.108513  0.692784  1
  H  H171  1  0.874532  0.127584  0.677969  1
  H  H172  1  0.243226  0.758975  0.705371  1
  H  H173  1  0.909893  0.425642  0.705371  1
  H  H174  1  0.919452  0.749440  0.712779  1
  H  H175  1  0.595677  0.739904  0.720186  1
  H  H176  1  0.576560  0.092309  0.705371  1
  H  H177  1  0.586118  0.416106  0.712779  1
  H  H178  1  0.262344  0.406571  0.720186  1
  H  H179  1  0.252785  0.082773  0.712779  1
  H  H180  1  0.900334  0.101844  0.697964  1
