# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.39479338
_cell_length_b   5.95494411
_cell_length_c   43.35377727
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.95270805
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3707.02608368
_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  0.864710  0.126748  0.338857  1
  H  H2  1  -0.010953  0.247166  0.309864  1
  H  H3  1  0.270174  0.131549  0.350320  1
  H  H4  1  0.198044  0.793415  0.338857  1
  H  H5  1  0.398624  0.256595  0.317262  1
  H  H6  1  0.565670  0.096810  0.317051  1
  H  H7  1  0.702855  0.274315  0.339608  1
  H  H8  1  0.731957  0.923262  0.317262  1
  H  H9  1  0.899003  0.763477  0.317051  1
  H  H10  1  0.036188  0.940982  0.339608  1
  H  H11  1  0.065291  0.589929  0.317262  1
  H  H12  1  0.232336  0.430144  0.317051  1
  H  H13  1  0.322380  0.913833  0.309864  1
  H  H14  1  0.603507  0.798216  0.350320  1
  H  H15  1  0.531377  0.460081  0.338857  1
  H  H16  1  0.655714  0.580500  0.309864  1
  H  H17  1  0.936841  0.464882  0.350320  1
  H  H18  1  0.369521  0.607649  0.339608  1
  H  H19  1  -0.022318  0.158966  0.379852  1
  H  H20  1  0.109346  0.276255  0.347920  1
  H  H21  1  0.313346  0.172284  0.399520  1
  H  H22  1  0.311016  0.825633  0.379852  1
  H  H23  1  0.421441  0.298576  0.369532  1
  H  H24  1  0.586797  0.151133  0.369439  1
  H  H25  1  0.808741  0.315673  0.381496  1
  H  H26  1  0.754774  0.965243  0.369532  1
  H  H27  1  0.920130  0.817800  0.369439  1
  H  H28  1  0.142074  0.982340  0.381496  1
  H  H29  1  0.088108  0.631910  0.369532  1
  H  H30  1  0.253464  0.484467  0.369439  1
  H  H31  1  0.442679  0.942922  0.347920  1
  H  H32  1  0.646679  0.838951  0.399520  1
  H  H33  1  0.644349  0.492300  0.379852  1
  H  H34  1  0.776012  0.609588  0.347920  1
  H  H35  1  -0.019988  0.505618  0.399520  1
  H  H36  1  0.475407  0.649007  0.381496  1
  H  H37  1  0.043758  0.193224  0.426932  1
  H  H38  1  0.149219  0.331949  0.398620  1
  H  H39  1  0.407721  0.202850  0.441244  1
  H  H40  1  0.377091  0.859890  0.426932  1
  H  H41  1  0.524254  0.346274  0.411186  1
  H  H42  1  0.689047  0.181932  0.410640  1
  H  H43  1  0.877990  0.357953  0.427897  1
  H  H44  1  0.857587  1.012940  0.411186  1
  H  H45  1  0.022381  0.848599  0.410640  1
  H  H46  1  0.211323  0.024620  0.427897  1
  H  H47  1  0.190921  0.679607  0.411186  1
  H  H48  1  0.355714  0.515266  0.410640  1
  H  H49  1  0.482553  0.998616  0.398620  1
  H  H50  1  0.741054  0.869516  0.441244  1
  H  H51  1  0.710425  0.526557  0.426932  1
  H  H52  1  0.815886  0.665282  0.398620  1
  H  H53  1  0.074387  0.536183  0.441244  1
  H  H54  1  0.544656  0.691286  0.427897  1
  H  H55  1  0.123529  0.225393  0.471946  1
  H  H56  1  0.240410  0.369872  0.441848  1
  H  H57  1  0.502347  0.240502  0.483371  1
  H  H58  1  0.456862  0.892059  0.471946  1
  H  H59  1  0.608668  0.379974  0.455330  1
  H  H60  1  0.773237  0.213801  0.454639  1
  H  H61  1  -0.040898  0.392147  0.472289  1
  H  H62  1  -0.057998  0.046641  0.455330  1
  H  H63  1  0.106571  0.880468  0.454639  1
  H  H64  1  0.292436  0.058813  0.472289  1
  H  H65  1  0.275335  0.713307  0.455330  1
  H  H66  1  0.439904  0.547134  0.454639  1
  H  H67  1  0.573743  0.036539  0.441848  1
  H  H68  1  0.835680  0.907168  0.483371  1
  H  H69  1  0.790195  0.558726  0.471946  1
  H  H70  1  0.907077  0.703205  0.441848  1
  H  H71  1  0.169013  0.573835  0.483371  1
  H  H72  1  0.625769  0.725480  0.472289  1
  H  H73  1  0.227547  0.271359  0.512608  1
  H  H74  1  0.337289  0.406060  0.483892  1
  H  H75  1  0.543763  0.285941  0.533594  1
  H  H76  1  0.560881  0.938026  0.512608  1
  H  H77  1  0.670282  0.418831  0.503385  1
  H  H78  1  0.836529  0.254065  0.502303  1
  H  H79  1  0.062399  0.434233  0.513315  1
  H  H80  1  0.003616  0.085497  0.503385  1
  H  H81  1  0.169863  0.920732  0.502303  1
  H  H82  1  0.395732  0.100899  0.513315  1
  H  H83  1  0.336949  0.752164  0.503385  1
  H  H84  1  0.503196  0.587399  0.502303  1
  H  H85  1  0.670622  0.072726  0.483892  1
  H  H86  1  0.877097  0.952608  0.533594  1
  H  H87  1  0.894214  0.604692  0.512608  1
  H  H88  1  0.003956  0.739393  0.483892  1
  H  H89  1  0.210430  0.619275  0.533594  1
  H  H90  1  0.729066  0.767566  0.513315  1
  H  H91  1  0.250087  0.320887  0.564675  1
  H  H92  1  0.378678  0.447317  0.534495  1
  H  H93  1  0.657439  0.345775  0.572231  1
  H  H94  1  0.583421  0.987554  0.564675  1
  H  H95  1  0.780944  0.466465  0.542969  1
  H  H96  1  -0.054959  0.307518  0.542429  1
  H  H97  1  0.084919  0.478337  0.565683  1
  H  H98  1  0.114277  0.133132  0.542969  1
  H  H99  1  0.278375  0.974184  0.542429  1
  H  H100  1  0.418252  0.145003  0.565683  1
  H  H101  1  0.447610  0.799799  0.542969  1
  H  H102  1  0.611708  0.640851  0.542429  1
  H  H103  1  0.712011  0.113984  0.534495  1
  H  H104  1  -0.009228  1.012442  0.572231  1
  H  H105  1  0.916754  0.654220  0.564675  1
  H  H106  1  0.045344  0.780650  0.534495  1
  H  H107  1  0.324106  0.679109  0.572231  1
  H  H108  1  0.751585  0.811670  0.565683  1
  H  H109  1  0.365555  0.384460  0.602471  1
  H  H110  1  0.492669  0.502121  0.573461  1
  H  H111  1  0.663568  0.393000  0.625517  1
  H  H112  1  0.698889  0.051126  0.602471  1
  H  H113  1  0.792381  0.512053  0.596162  1
  H  H114  1  -0.043773  0.355955  0.595369  1
  H  H115  1  0.201438  0.541410  0.604230  1
  H  H116  1  0.125714  0.178720  0.596162  1
  H  H117  1  0.289560  0.022622  0.595369  1
  H  H118  1  0.534771  0.208077  0.604230  1
  H  H119  1  0.459048  0.845387  0.596162  1
  H  H120  1  0.622893  0.689289  0.595369  1
  H  H121  1  0.826003  0.168787  0.573461  1
  H  H122  1  -0.003098  0.059667  0.625517  1
  H  H123  1  0.032222  0.717793  0.602471  1
  H  H124  1  0.159336  0.835454  0.573461  1
  H  H125  1  0.330235  0.726333  0.625517  1
  H  H126  1  0.868105  0.874744  0.604230  1
  H  H127  1  0.369355  0.431235  0.655808  1
  H  H128  1  0.498165  0.549673  0.627297  1
  H  H129  1  0.779394  0.462054  0.663657  1
  H  H130  1  0.702688  0.097902  0.655808  1
  H  H131  1  0.908271  0.577969  0.634662  1
  H  H132  1  0.073270  0.421794  0.632474  1
  H  H133  1  0.205621  0.587904  0.658295  1
  H  H134  1  0.241605  0.244635  0.634662  1
  H  H135  1  0.406603  0.088460  0.632474  1
  H  H136  1  0.538954  0.254571  0.658295  1
  H  H137  1  0.574938  0.911302  0.634662  1
  H  H138  1  0.739936  0.755127  0.632474  1
  H  H139  1  0.831498  0.216339  0.627297  1
  H  H140  1  0.112727  0.128721  0.663657  1
  H  H141  1  0.036021  0.764568  0.655808  1
  H  H142  1  0.164832  0.883006  0.627297  1
  H  H143  1  0.446061  0.795387  0.663657  1
  H  H144  1  0.872288  0.921238  0.658295  1
  H  H145  1  0.484993  0.506903  0.694212  1
  H  H146  1  0.615618  0.610375  0.664782  1
  H  H147  1  0.777255  0.522929  0.719044  1
  H  H148  1  0.818326  0.173569  0.694212  1
  H  H149  1  0.911786  0.617950  0.688028  1
  H  H150  1  0.075813  0.469102  0.685317  1
  H  H151  1  0.324489  0.644670  0.695802  1
  H  H152  1  0.245119  0.284617  0.688028  1
  H  H153  1  0.409146  0.135769  0.685317  1
  H  H154  1  0.657823  0.311337  0.695802  1
  H  H155  1  0.578452  0.951284  0.688028  1
  H  H156  1  0.742480  0.802435  0.685317  1
  H  H157  1  -0.051048  0.277042  0.664782  1
  H  H158  1  0.110588  0.189595  0.719044  1
  H  H159  1  0.151659  0.840236  0.694212  1
  H  H160  1  0.282285  0.943709  0.664782  1
  H  H161  1  0.443921  0.856262  0.719044  1
  H  H162  1  -0.008844  0.978004  0.695802  1
  H  H163  1  0.490342  0.542324  0.748427  1
  H  H164  1  0.617593  0.654773  0.718000  1
  H  H165  1  0.899400  0.575561  0.754721  1
  H  H166  1  0.823676  0.208991  0.748427  1
  H  H167  1  0.032976  0.666606  0.727058  1
  H  H168  1  0.194297  0.537045  0.722822  1
  H  H169  1  0.322468  0.682873  0.749998  1
  H  H170  1  0.366309  0.333272  0.727058  1
  H  H171  1  0.527630  0.203712  0.722822  1
  H  H172  1  0.655801  0.349540  0.749998  1
  H  H173  1  0.699643  0.999939  0.727058  1
  H  H174  1  0.860963  0.870379  0.722822  1
  H  H175  1  -0.049074  0.321440  0.718000  1
  H  H176  1  0.232734  0.242227  0.754721  1
  H  H177  1  0.157009  0.875658  0.748427  1
  H  H178  1  0.284260  0.988107  0.718000  1
  H  H179  1  0.566067  0.908894  0.754721  1
  H  H180  1  -0.010865  0.016206  0.749998  1
