# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48992781
_cell_length_b   7.76126512
_cell_length_c   44.41921648
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.88375847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   3130.62491834
_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  0.830382  0.140844  0.307113  1
  H  H2  1  0.504737  0.155175  0.305393  1
  H  H3  1  0.606129  0.952643  0.325744  1
  H  H4  1  0.214673  0.185771  0.304817  1
  H  H5  1  0.275727  0.943939  0.323053  1
  H  H6  1  0.160882  0.639883  0.307047  1
  H  H7  1  -0.014596  0.978233  0.322073  1
  H  H8  1  0.862911  0.676860  0.304451  1
  H  H9  1  0.526951  0.673880  0.305397  1
  H  H10  1  0.929636  0.439953  0.324325  1
  H  H11  1  0.633790  0.463811  0.321283  1
  H  H12  1  0.701189  0.246195  0.343763  1
  H  H13  1  0.306541  0.474044  0.323695  1
  H  H14  1  0.403538  0.273451  0.342408  1
  H  H15  1  0.381545  0.755152  0.343084  1
  H  H16  1  0.071817  0.277536  0.340227  1
  H  H17  1  0.043742  0.750436  0.343174  1
  H  H18  1  0.747108  0.786525  0.340720  1
  H  H19  1  0.153571  0.559295  0.359728  1
  H  H20  1  0.812319  0.557659  0.359536  1
  H  H21  1  0.925038  0.368381  0.376582  1
  H  H22  1  0.519078  0.585192  0.358006  1
  H  H23  1  0.585185  0.362607  0.378117  1
  H  H24  1  0.471123  0.049964  0.360689  1
  H  H25  1  0.282934  0.388561  0.375991  1
  H  H26  1  0.172151  0.076569  0.358601  1
  H  H27  1  0.843866  0.082090  0.358405  1
  H  H28  1  0.243868  0.855697  0.377535  1
  H  H29  1  0.937616  0.879687  0.376581  1
  H  H30  1  0.015172  0.661082  0.394926  1
  H  H31  1  0.611380  0.885345  0.376228  1
  H  H32  1  0.705676  0.682018  0.394180  1
  H  H33  1  0.697362  0.172348  0.394534  1
  H  H34  1  0.381873  0.689244  0.393290  1
  H  H35  1  0.353114  0.165712  0.395370  1
  H  H36  1  0.051505  0.192028  0.392842  1
  H  H37  1  0.468747  0.979327  0.411844  1
  H  H38  1  0.122004  0.969370  0.412385  1
  H  H39  1  0.241637  0.787417  0.428882  1
  H  H40  1  0.819429  -0.006039  0.410885  1
  H  H41  1  0.891346  0.772093  0.429993  1
  H  H42  1  0.787853  0.466733  0.412269  1
  H  H43  1  0.586473  0.796089  0.428504  1
  H  H44  1  0.471262  0.482995  0.411766  1
  H  H45  1  0.151578  0.494804  0.410789  1
  H  H46  1  0.558250  0.271462  0.429901  1
  H  H47  1  0.237134  0.284107  0.429254  1
  H  H48  1  0.328429  0.076789  0.447375  1
  H  H49  1  0.922284  0.298163  0.428099  1
  H  H50  1  0.005355  0.085616  0.446764  1
  H  H51  1  0.014236  0.593506  0.446290  1
  H  H52  1  0.692133  0.102451  0.445852  1
  H  H53  1  0.659846  0.574466  0.447308  1
  H  H54  1  0.353827  0.599198  0.445945  1
  H  H55  1  0.786183  0.399155  0.463567  1
  H  H56  1  0.428075  0.378237  0.464787  1
  H  H57  1  0.556687  0.204654  0.481043  1
  H  H58  1  0.122488  0.402209  0.463536  1
  H  H59  1  0.197221  0.181804  0.482345  1
  H  H60  1  0.099325  0.881385  0.464743  1
  H  H61  1  0.891413  0.205182  0.481011  1
  H  H62  1  0.772996  0.887206  0.464338  1
  H  H63  1  0.461736  0.907103  0.463356  1
  H  H64  1  0.869919  0.685683  0.482150  1
  H  H65  1  0.541036  0.689981  0.481753  1
  H  H66  1  0.640317  0.490454  0.499493  1
  H  H67  1  0.231780  0.711521  0.480803  1
  H  H68  1  0.309524  0.493449  0.499393  1
  H  H69  1  0.327226  0.009516  0.498544  1
  H  H70  1  0.001894  0.515668  0.498289  1
  H  H71  1  0.966605  -0.014716  0.499800  1
  H  H72  1  0.659889  0.008360  0.498510  1
  H  H73  1  0.097714  0.814346  0.515979  1
  H  H74  1  0.736136  0.789132  0.517183  1
  H  H75  1  0.868112  0.619117  0.533322  1
  H  H76  1  0.428506  0.811352  0.516078  1
  H  H77  1  0.506251  0.593279  0.534669  1
  H  H78  1  0.410805  0.295284  0.516928  1
  H  H79  1  0.196995  0.614819  0.533718  1
  H  H80  1  0.078141  0.296440  0.516962  1
  H  H81  1  0.771426  0.319516  0.515672  1
  H  H82  1  0.181343  0.100146  0.534429  1
  H  H83  1  0.846617  0.099619  0.534460  1
  H  H84  1  0.951848  0.905645  0.551905  1
  H  H85  1  0.540809  0.122997  0.533127  1
  H  H86  1  0.615543  0.902591  0.551936  1
  H  H87  1  0.638705  0.423416  0.550729  1
  H  H88  1  0.309955  0.926564  0.550685  1
  H  H89  1  0.276295  0.397698  0.552116  1
  H  H90  1  0.965034  0.417595  0.551133  1
  H  H91  1  0.409601  0.228011  0.568096  1
  H  H92  1  0.045898  0.202349  0.569620  1
  H  H93  1  0.179780  0.033339  0.585570  1
  H  H94  1  0.732676  0.219185  0.568707  1
  H  H95  1  0.815746  0.006638  0.587372  1
  H  H96  1  0.723795  0.711294  0.569182  1
  H  H97  1  0.500897  0.020694  0.586218  1
  H  H98  1  0.384204  0.705603  0.569526  1
  H  H99  1  0.078185  0.730334  0.568163  1
  H  H100  1  0.496393  0.517383  0.586589  1
  H  H101  1  0.151558  0.508711  0.586968  1
  H  H102  1  0.269284  0.325474  0.603628  1
  H  H103  1  0.846685  0.532707  0.585478  1
  H  H104  1  0.918601  0.310839  0.604586  1
  H  H105  1  0.950177  0.838067  0.603202  1
  H  H106  1  0.616026  0.335430  0.603087  1
  H  H107  1  0.586452  0.809996  0.604682  1
  H  H108  1  0.266768  0.821806  0.603705  1
  H  H109  1  0.722859  0.643719  0.620546  1
  H  H110  1  0.356157  0.615556  0.622181  1
  H  H111  1  0.494163  0.449103  0.637937  1
  H  H112  1  0.032355  0.622783  0.621291  1
  H  H113  1  0.126651  0.419455  0.639244  1
  H  H114  1  0.040669  0.132452  0.620938  1
  H  H115  1  0.800415  0.425113  0.638890  1
  H  H116  1  0.686526  0.112772  0.622630  1
  H  H117  1  0.384917  0.139089  0.620102  1
  H  H118  1  0.812992  0.936419  0.638890  1
  H  H119  1  0.455097  0.916239  0.639481  1
  H  H120  1  0.584460  0.745505  0.655744  1
  H  H121  1  0.152845  0.942193  0.637355  1
  H  H122  1  0.218953  0.719609  0.657465  1
  H  H123  1  0.266907  0.254836  0.654783  1
  H  H124  1  0.925712  0.747141  0.655936  1
  H  H125  1  0.894165  0.222711  0.657067  1
  H  H126  1  0.565880  0.228231  0.656871  1
  H  H127  1  0.036842  0.058605  0.671708  1
  H  H128  1  0.666214  0.027264  0.675245  1
  H  H129  1  0.808395  0.864847  0.691147  1
  H  H130  1  0.334492  0.031350  0.673064  1
  H  H131  1  0.431490  0.830757  0.691777  1
  H  H132  1  0.356485  0.549648  0.672387  1
  H  H133  1  0.104240  0.840990  0.694189  1
  H  H134  1  -0.009077  0.518276  0.674751  1
  H  H135  1  0.694289  0.554364  0.672298  1
  H  H136  1  0.131902  0.352157  0.689728  1
  H  H137  1  0.752627  0.326567  0.693398  1
  H  H138  1  0.907649  0.163957  0.708358  1
  H  H139  1  0.462304  0.360861  0.692419  1
  H  H140  1  0.523358  0.119029  0.710654  1
  H  H141  1  0.577149  0.664918  0.708424  1
  H  H142  1  0.233294  0.149626  0.710078  1
  H  H143  1  0.211080  0.630921  0.710075  1
  H  H144  1  0.875120  0.627940  0.711021  1
