# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80765132
_cell_length_b   8.82209204
_cell_length_c   45.87595132
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.32507888
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H189
_cell_volume   3264.64264652
_cell_formula_units_Z   94
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  0.026306  0.975409  0.295249  1
  H  H2  1  0.676659  0.991684  0.288305  1
  H  H3  1  0.692972  0.642076  0.295249  1
  H  H4  1  0.375953  0.959135  0.302194  1
  H  H5  1  0.343325  0.658351  0.288305  1
  H  H6  1  0.359639  0.308743  0.295249  1
  H  H7  1  0.042620  0.625801  0.302194  1
  H  H8  1  0.009992  0.325017  0.288305  1
  H  H9  1  0.660345  0.341292  0.281360  1
  H  H10  1  0.070340  0.931482  0.313993  1
  H  H11  1  0.720692  0.947756  0.307049  1
  H  H12  1  0.737006  0.598148  0.313993  1
  H  H13  1  0.419987  0.915207  0.320938  1
  H  H14  1  0.387359  0.614423  0.307049  1
  H  H15  1  0.403673  0.264815  0.313993  1
  H  H16  1  0.086654  0.581874  0.320938  1
  H  H17  1  0.054026  0.281090  0.307049  1
  H  H18  1  0.704379  0.297364  0.300104  1
  H  H19  1  0.122440  0.879507  0.336171  1
  H  H20  1  0.772793  0.895781  0.329227  1
  H  H21  1  0.789107  0.546173  0.336171  1
  H  H22  1  0.472087  0.863232  0.343116  1
  H  H23  1  0.439459  0.562448  0.329227  1
  H  H24  1  0.455773  0.212840  0.336171  1
  H  H25  1  0.138754  0.529899  0.343116  1
  H  H26  1  0.106126  0.229115  0.329227  1
  H  H27  1  0.756479  0.245389  0.322282  1
  H  H28  1  0.170215  0.831847  0.356508  1
  H  H29  1  0.820568  0.848121  0.349563  1
  H  H30  1  0.836882  0.498514  0.356508  1
  H  H31  1  0.519862  0.815572  0.363452  1
  H  H32  1  0.487234  0.514788  0.349563  1
  H  H33  1  0.503548  0.165180  0.356508  1
  H  H34  1  0.186529  0.482239  0.363452  1
  H  H35  1  0.153901  0.181455  0.349563  1
  H  H36  1  0.804254  0.197729  0.342619  1
  H  H37  1  0.219772  0.782410  0.377603  1
  H  H38  1  0.870124  0.798684  0.370659  1
  H  H39  1  0.886438  0.449076  0.377603  1
  H  H40  1  0.569419  0.766135  0.384547  1
  H  H41  1  0.536791  0.465351  0.370659  1
  H  H42  1  0.553105  0.115743  0.377603  1
  H  H43  1  0.236086  0.432802  0.384547  1
  H  H44  1  0.203458  0.132018  0.370659  1
  H  H45  1  0.853811  0.148292  0.363714  1
  H  H46  1  0.268470  0.733828  0.398333  1
  H  H47  1  0.918823  0.750103  0.391388  1
  H  H48  1  0.935137  0.400495  0.398333  1
  H  H49  1  0.618117  0.717554  0.405277  1
  H  H50  1  0.585490  0.416770  0.391388  1
  H  H51  1  0.601803  0.067162  0.398333  1
  H  H52  1  0.284784  0.384220  0.405277  1
  H  H53  1  0.252156  0.083436  0.391388  1
  H  H54  1  0.902509  0.099711  0.384444  1
  H  H55  1  0.317558  0.684858  0.419229  1
  H  H56  1  0.967911  0.701133  0.412284  1
  H  H57  1  0.984225  0.351525  0.419229  1
  H  H58  1  0.667206  0.668584  0.426173  1
  H  H59  1  0.634578  0.367800  0.412284  1
  H  H60  1  0.650892  0.018192  0.419229  1
  H  H61  1  0.333872  0.335250  0.426173  1
  H  H62  1  0.301245  0.034466  0.412284  1
  H  H63  1  0.951597  0.050741  0.405340  1
  H  H64  1  0.366464  0.636070  0.440047  1
  H  H65  1  0.016817  0.652345  0.433102  1
  H  H66  1  0.033131  0.302737  0.440047  1
  H  H67  1  0.716112  0.619796  0.446991  1
  H  H68  1  0.683484  0.319011  0.433102  1
  H  H69  1  0.699798  0.969403  0.440047  1
  H  H70  1  0.382778  0.286462  0.446991  1
  H  H71  1  0.350151  0.985678  0.433102  1
  H  H72  1  0.000503  0.001953  0.426158  1
  H  H73  1  0.415454  0.587199  0.460900  1
  H  H74  1  0.065807  0.603473  0.453956  1
  H  H75  1  0.082121  0.253865  0.460900  1
  H  H76  1  0.765101  0.570924  0.467845  1
  H  H77  1  0.732473  0.270140  0.453956  1
  H  H78  1  0.748787  0.920532  0.460900  1
  H  H79  1  0.431768  0.237591  0.467845  1
  H  H80  1  0.399140  0.936806  0.453956  1
  H  H81  1  0.049493  0.953081  0.447012  1
  H  H82  1  0.464406  0.538364  0.481738  1
  H  H83  1  0.114759  0.554639  0.474794  1
  H  H84  1  0.131073  0.205031  0.481738  1
  H  H85  1  0.814053  0.522090  0.488683  1
  H  H86  1  0.781426  0.221306  0.474794  1
  H  H87  1  0.797740  0.871698  0.481738  1
  H  H88  1  0.480720  0.188756  0.488683  1
  H  H89  1  0.448092  0.887972  0.474794  1
  H  H90  1  0.098445  0.904247  0.467849  1
  H  H91  1  0.513373  0.489516  0.502582  1
  H  H92  1  0.163725  0.505790  0.495638  1
  H  H93  1  0.180039  0.156182  0.502582  1
  H  H94  1  0.863020  0.473241  0.509527  1
  H  H95  1  0.830392  0.172457  0.495638  1
  H  H96  1  0.846706  0.822849  0.502582  1
  H  H97  1  0.529687  0.139908  0.509527  1
  H  H98  1  0.497059  0.839124  0.495638  1
  H  H99  1  0.147412  0.855398  0.488693  1
  H  H100  1  0.562339  0.440667  0.523426  1
  H  H101  1  0.212692  0.456942  0.516482  1
  H  H102  1  0.229006  0.107334  0.523426  1
  H  H103  1  0.911986  0.424393  0.530370  1
  H  H104  1  0.879359  0.123609  0.516482  1
  H  H105  1  0.895672  0.774001  0.523426  1
  H  H106  1  0.578653  0.091059  0.530370  1
  H  H107  1  0.546025  0.790275  0.516482  1
  H  H108  1  0.196378  0.806550  0.509537  1
  H  H109  1  0.611291  0.391833  0.544264  1
  H  H110  1  0.261644  0.408108  0.537319  1
  H  H111  1  0.277958  0.058500  0.544264  1
  H  H112  1  0.960938  0.375559  0.551208  1
  H  H113  1  0.928311  0.074774  0.537319  1
  H  H114  1  0.944625  0.725166  0.544264  1
  H  H115  1  0.627605  0.042225  0.551208  1
  H  H116  1  0.594977  0.741441  0.537319  1
  H  H117  1  0.245330  0.757716  0.530375  1
  H  H118  1  0.660281  0.342962  0.565118  1
  H  H119  1  0.310634  0.359236  0.558173  1
  H  H120  1  0.326947  0.009628  0.565118  1
  H  H121  1  0.009928  0.326687  0.572062  1
  H  H122  1  0.977300  0.025903  0.558173  1
  H  H123  1  0.993614  0.676295  0.565118  1
  H  H124  1  0.676595  0.993354  0.572062  1
  H  H125  1  0.643967  0.692569  0.558173  1
  H  H126  1  0.294320  0.708844  0.551229  1
  H  H127  1  0.709187  0.294173  0.585936  1
  H  H128  1  0.359540  0.310448  0.578991  1
  H  H129  1  0.375853  0.960840  0.585936  1
  H  H130  1  0.058834  0.277899  0.592880  1
  H  H131  1  0.026206  0.977115  0.578991  1
  H  H132  1  0.042520  0.627507  0.585936  1
  H  H133  1  0.725501  0.944565  0.592880  1
  H  H134  1  0.692873  0.643781  0.578991  1
  H  H135  1  0.343226  0.660056  0.572047  1
  H  H136  1  0.758275  0.245203  0.606831  1
  H  H137  1  0.408628  0.261478  0.599887  1
  H  H138  1  0.424942  0.911870  0.606831  1
  H  H139  1  0.107922  0.228929  0.613776  1
  H  H140  1  0.075295  0.928145  0.599887  1
  H  H141  1  0.091608  0.578537  0.606831  1
  H  H142  1  0.774589  0.895595  0.613776  1
  H  H143  1  0.741961  0.594811  0.599887  1
  H  H144  1  0.392314  0.611086  0.592943  1
  H  H145  1  0.806974  0.196622  0.627561  1
  H  H146  1  0.457326  0.212897  0.620617  1
  H  H147  1  0.473640  0.863289  0.627561  1
  H  H148  1  0.156621  0.180347  0.634506  1
  H  H149  1  0.123993  0.879563  0.620617  1
  H  H150  1  0.140307  0.529955  0.627561  1
  H  H151  1  0.823288  0.847014  0.634506  1
  H  H152  1  0.790660  0.546230  0.620617  1
  H  H153  1  0.441013  0.562505  0.613672  1
  H  H154  1  0.856530  0.147185  0.648656  1
  H  H155  1  0.506883  0.163459  0.641712  1
  H  H156  1  0.523197  0.813851  0.648656  1
  H  H157  1  0.206177  0.130910  0.655601  1
  H  H158  1  0.173550  0.830126  0.641712  1
  H  H159  1  0.189864  0.480518  0.648656  1
  H  H160  1  0.872844  0.797577  0.655601  1
  H  H161  1  0.840216  0.496793  0.641712  1
  H  H162  1  0.490569  0.513067  0.634767  1
  H  H163  1  0.904305  0.099525  0.668993  1
  H  H164  1  0.554658  0.115799  0.662049  1
  H  H165  1  0.570972  0.766191  0.668993  1
  H  H166  1  0.253953  0.083250  0.675937  1
  H  H167  1  0.221325  0.782466  0.662049  1
  H  H168  1  0.237639  0.432858  0.668993  1
  H  H169  1  0.920619  0.749917  0.675937  1
  H  H170  1  0.887991  0.449133  0.662049  1
  H  H171  1  0.538344  0.465407  0.655104  1
  H  H172  1  0.956406  0.047550  0.691171  1
  H  H173  1  0.606758  0.063825  0.684226  1
  H  H174  1  0.623072  0.714217  0.691171  1
  H  H175  1  0.306053  0.031275  0.698115  1
  H  H176  1  0.273425  0.730491  0.684226  1
  H  H177  1  0.289739  0.380883  0.691171  1
  H  H178  1  0.972719  0.697942  0.698115  1
  H  H179  1  0.940092  0.397158  0.684226  1
  H  H180  1  0.590444  0.413433  0.677282  1
  H  H181  1  0.000439  0.003622  0.709915  1
  H  H182  1  0.650792  0.019897  0.702971  1
  H  H183  1  0.667106  0.670289  0.709915  1
  H  H184  1  0.350087  0.987348  0.716860  1
  H  H185  1  0.317459  0.686563  0.702971  1
  H  H186  1  0.333773  0.336956  0.709915  1
  H  H187  1  0.016753  0.654014  0.716860  1
  H  H188  1  0.984126  0.353230  0.702971  1
  H  H189  1  0.634478  0.369505  0.696026  1
