# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80771770
_cell_length_b   6.09206252
_cell_length_c   46.18418466
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.93641598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H138
_cell_volume   2312.53035982
_cell_formula_units_Z   69
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  0.077243  0.222624  0.285497  1
  H  H2  1  0.726866  0.251892  0.278961  1
  H  H3  1  0.427621  0.193355  0.292033  1
  H  H4  1  0.427621  0.693355  0.292033  1
  H  H5  1  0.077243  0.722624  0.285497  1
  H  H6  1  0.726865  0.751893  0.278961  1
  H  H7  1  0.123246  0.143629  0.303138  1
  H  H8  1  0.772868  0.172898  0.296602  1
  H  H9  1  0.473623  0.114360  0.309673  1
  H  H10  1  0.473623  0.614360  0.309673  1
  H  H11  1  0.123246  0.643629  0.303138  1
  H  H12  1  0.772867  0.672898  0.296601  1
  H  H13  1  0.177675  0.050163  0.324009  1
  H  H14  1  0.827297  0.079432  0.317473  1
  H  H15  1  0.528053  0.020894  0.330545  1
  H  H16  1  0.528053  0.520894  0.330545  1
  H  H17  1  0.177675  0.550163  0.324009  1
  H  H18  1  0.827297  0.579432  0.317473  1
  H  H19  1  0.227585  0.964457  0.343148  1
  H  H20  1  0.877208  0.993725  0.336612  1
  H  H21  1  0.577963  0.935188  0.349684  1
  H  H22  1  0.577963  0.435188  0.349684  1
  H  H23  1  0.227585  0.464457  0.343148  1
  H  H24  1  0.877208  0.493726  0.336612  1
  H  H25  1  0.279357  0.875554  0.363001  1
  H  H26  1  0.928979  0.904823  0.356465  1
  H  H27  1  0.629735  0.846286  0.369537  1
  H  H28  1  0.629735  0.346286  0.369537  1
  H  H29  1  0.279357  0.375554  0.363001  1
  H  H30  1  0.928980  0.404824  0.356465  1
  H  H31  1  0.330233  0.788191  0.382510  1
  H  H32  1  0.979855  0.817460  0.375974  1
  H  H33  1  0.680610  0.758923  0.389046  1
  H  H34  1  0.680610  0.258923  0.389046  1
  H  H35  1  0.330233  0.288191  0.382510  1
  H  H36  1  0.979855  0.317461  0.375974  1
  H  H37  1  0.381515  0.700129  0.402175  1
  H  H38  1  0.031137  0.729398  0.395639  1
  H  H39  1  0.731893  0.670860  0.408711  1
  H  H40  1  0.731893  0.170860  0.408711  1
  H  H41  1  0.381515  0.200129  0.402175  1
  H  H42  1  0.031138  0.229398  0.395639  1
  H  H43  1  0.432607  0.612394  0.421767  1
  H  H44  1  0.082229  0.641663  0.415231  1
  H  H45  1  0.782985  0.583125  0.428303  1
  H  H46  1  0.782985  0.083125  0.428303  1
  H  H47  1  0.432607  0.112394  0.421767  1
  H  H48  1  0.082230  0.141663  0.415231  1
  H  H49  1  0.483787  0.524508  0.441392  1
  H  H50  1  0.133409  0.553777  0.434856  1
  H  H51  1  0.834165  0.495239  0.447928  1
  H  H52  1  0.834165  0.995239  0.447928  1
  H  H53  1  0.483787  0.024508  0.441392  1
  H  H54  1  0.133410  0.053777  0.434856  1
  H  H55  1  0.534926  0.436692  0.461002  1
  H  H56  1  0.184549  0.465960  0.454466  1
  H  H57  1  0.885304  0.407423  0.467538  1
  H  H58  1  0.885304  0.907423  0.467538  1
  H  H59  1  0.534926  0.936692  0.461002  1
  H  H60  1  0.184549  0.965961  0.454466  1
  H  H61  1  0.586084  0.348844  0.480619  1
  H  H62  1  0.235706  0.378113  0.474084  1
  H  H63  1  0.936462  0.319575  0.487155  1
  H  H64  1  0.936462  0.819575  0.487155  1
  H  H65  1  0.586084  0.848844  0.480619  1
  H  H66  1  0.235707  0.878113  0.474083  1
  H  H67  1  0.637234  0.261008  0.500234  1
  H  H68  1  0.286857  0.290277  0.493698  1
  H  H69  1  0.987612  0.231740  0.506770  1
  H  H70  1  0.987612  0.731740  0.506770  1
  H  H71  1  0.637234  0.761008  0.500234  1
  H  H72  1  0.286856  0.790278  0.493698  1
  H  H73  1  0.688385  0.173173  0.519848  1
  H  H74  1  0.338007  0.202442  0.513312  1
  H  H75  1  0.038763  0.143904  0.526384  1
  H  H76  1  0.038763  0.643904  0.526384  1
  H  H77  1  0.688385  0.673173  0.519848  1
  H  H78  1  0.338006  0.702442  0.513312  1
  H  H79  1  0.739542  0.085325  0.539465  1
  H  H80  1  0.389165  0.114594  0.532929  1
  H  H81  1  0.089920  0.056057  0.546001  1
  H  H82  1  0.089920  0.556057  0.546001  1
  H  H83  1  0.739542  0.585325  0.539465  1
  H  H84  1  0.389163  0.614594  0.532929  1
  H  H85  1  0.790682  0.997509  0.559075  1
  H  H86  1  0.440304  0.026778  0.552540  1
  H  H87  1  0.141060  0.968240  0.565611  1
  H  H88  1  0.141060  0.468240  0.565611  1
  H  H89  1  0.790682  0.497509  0.559075  1
  H  H90  1  0.440301  0.526778  0.552540  1
  H  H91  1  0.841862  0.909623  0.578701  1
  H  H92  1  0.491484  0.938892  0.572165  1
  H  H93  1  0.192240  0.880354  0.585237  1
  H  H94  1  0.192240  0.380354  0.585237  1
  H  H95  1  0.841862  0.409623  0.578701  1
  H  H96  1  0.491480  0.438891  0.572165  1
  H  H97  1  0.892954  0.821888  0.598293  1
  H  H98  1  0.542576  0.851157  0.591757  1
  H  H99  1  0.243331  0.792619  0.604829  1
  H  H100  1  0.243331  0.292619  0.604829  1
  H  H101  1  0.892954  0.321888  0.598293  1
  H  H102  1  0.542570  0.351156  0.591757  1
  H  H103  1  0.944236  0.733826  0.617958  1
  H  H104  1  0.593859  0.763094  0.611422  1
  H  H105  1  0.294614  0.704557  0.624494  1
  H  H106  1  0.294614  0.204557  0.624494  1
  H  H107  1  0.944236  0.233826  0.617958  1
  H  H108  1  0.593852  0.263094  0.611422  1
  H  H109  1  0.995112  0.646463  0.637467  1
  H  H110  1  0.644734  0.675731  0.630931  1
  H  H111  1  0.345489  0.617194  0.644003  1
  H  H112  1  0.345489  0.117194  0.644003  1
  H  H113  1  0.995112  0.146463  0.637467  1
  H  H114  1  0.644726  0.175730  0.630931  1
  H  H115  1  0.046883  0.557560  0.657320  1
  H  H116  1  0.696506  0.586829  0.650784  1
  H  H117  1  0.397261  0.528291  0.663856  1
  H  H118  1  0.397261  0.028291  0.663856  1
  H  H119  1  0.046883  0.057560  0.657320  1
  H  H120  1  0.696496  0.086828  0.650784  1
  H  H121  1  0.096794  0.471854  0.676459  1
  H  H122  1  0.746416  0.501122  0.669923  1
  H  H123  1  0.447172  0.442585  0.682995  1
  H  H124  1  0.447172  0.942585  0.682995  1
  H  H125  1  0.096794  0.971854  0.676459  1
  H  H126  1  0.746405  0.001121  0.669923  1
  H  H127  1  0.151223  0.378388  0.697330  1
  H  H128  1  0.800845  0.407657  0.690794  1
  H  H129  1  0.501601  0.349119  0.703866  1
  H  H130  1  0.501601  0.849119  0.703866  1
  H  H131  1  0.151223  0.878388  0.697330  1
  H  H132  1  0.800832  0.907655  0.690795  1
  H  H133  1  0.197225  0.299393  0.714971  1
  H  H134  1  0.846848  0.328662  0.708435  1
  H  H135  1  0.547603  0.270125  0.721506  1
  H  H136  1  0.547603  0.770125  0.721506  1
  H  H137  1  0.197225  0.799393  0.714971  1
  H  H138  1  0.846835  0.828660  0.708435  1
