# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55078941
_cell_length_b   15.64661994
_cell_length_c   49.29708883
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.34337143
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H176
_cell_volume   3503.02712477
_cell_formula_units_Z   88
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  0.659362  0.662924  0.259356  1
  H  H2  1  0.283081  0.163751  0.263677  1
  H  H3  1  0.159362  0.662924  0.259356  1
  H  H4  1  0.783081  0.163751  0.263677  1
  H  H5  1  0.691003  0.533656  0.280886  1
  H  H6  1  0.066573  0.033147  0.277097  1
  H  H7  1  0.191003  0.533656  0.280886  1
  H  H8  1  0.566573  0.033147  0.277097  1
  H  H9  1  0.470237  0.413825  0.261234  1
  H  H10  1  0.848180  0.911283  0.257752  1
  H  H11  1  0.970237  0.413825  0.261234  1
  H  H12  1  0.348180  0.911283  0.257752  1
  H  H13  1  0.380224  0.782482  0.279161  1
  H  H14  1  1.002252  0.284679  0.282788  1
  H  H15  1  0.880224  0.782482  0.279161  1
  H  H16  1  0.502252  0.284679  0.282788  1
  H  H17  1  0.411211  0.653433  0.301405  1
  H  H18  1  1.034889  0.153772  0.305470  1
  H  H19  1  0.911211  0.653433  0.301405  1
  H  H20  1  0.534889  0.153772  0.305470  1
  H  H21  1  0.442558  0.523922  0.322565  1
  H  H22  1  0.818355  0.023685  0.318677  1
  H  H23  1  0.942558  0.523922  0.322565  1
  H  H24  1  0.318355  0.023685  0.318677  1
  H  H25  1  0.222132  0.404451  0.303251  1
  H  H26  1  0.599823  0.902656  0.299695  1
  H  H27  1  0.722132  0.404451  0.303251  1
  H  H28  1  0.099823  0.902656  0.299695  1
  H  H29  1  0.131492  0.773138  0.320780  1
  H  H30  1  0.753841  0.274750  0.324388  1
  H  H31  1  0.631492  0.773138  0.320780  1
  H  H32  1  0.253841  0.274750  0.324388  1
  H  H33  1  0.162876  0.643593  0.342552  1
  H  H34  1  0.786711  0.143997  0.346542  1
  H  H35  1  0.662876  0.643593  0.342552  1
  H  H36  1  0.286711  0.143997  0.346542  1
  H  H37  1  0.194282  0.514035  0.364068  1
  H  H38  1  0.570119  0.013872  0.360133  1
  H  H39  1  0.694282  0.514035  0.364068  1
  H  H40  1  0.070119  0.013872  0.360133  1
  H  H41  1  0.973945  0.394344  0.344386  1
  H  H42  1  0.351390  0.892945  0.340780  1
  H  H43  1  0.473945  0.394344  0.344386  1
  H  H44  1  0.851390  0.892945  0.340780  1
  H  H45  1  0.883119  0.763381  0.362247  1
  H  H46  1  0.505612  0.264833  0.365884  1
  H  H47  1  0.383119  0.763381  0.362247  1
  H  H48  1  1.005612  0.264833  0.365884  1
  H  H49  1  0.914537  0.633850  0.383954  1
  H  H50  1  0.538494  0.134193  0.387916  1
  H  H51  1  0.414537  0.633850  0.383954  1
  H  H52  1  1.038494  0.134193  0.387916  1
  H  H53  1  0.945981  0.504319  0.405565  1
  H  H54  1  0.321857  0.004088  0.401618  1
  H  H55  1  0.445981  0.504319  0.405565  1
  H  H56  1  0.821857  0.004088  0.401618  1
  H  H57  1  0.725681  0.384535  0.385798  1
  H  H58  1  0.103055  0.883186  0.382153  1
  H  H59  1  0.225681  0.384535  0.385798  1
  H  H60  1  0.603055  0.883186  0.382153  1
  H  H61  1  0.634782  0.753678  0.403722  1
  H  H62  1  0.257364  0.255071  0.407379  1
  H  H63  1  0.134782  0.753678  0.403722  1
  H  H64  1  0.757364  0.255071  0.407379  1
  H  H65  1  0.666205  0.624141  0.425399  1
  H  H66  1  0.290226  0.124441  0.429352  1
  H  H67  1  0.166205  0.624141  0.425399  1
  H  H68  1  0.790226  0.124441  0.429352  1
  H  H69  1  0.697670  0.494602  0.447037  1
  H  H70  1  0.073578  0.994339  0.443087  1
  H  H71  1  0.197670  0.494602  0.447037  1
  H  H72  1  0.573578  0.994339  0.443087  1
  H  H73  1  0.477390  0.374801  0.427251  1
  H  H74  1  0.854747  0.873444  0.423588  1
  H  H75  1  0.977390  0.374801  0.427251  1
  H  H76  1  0.354747  0.873444  0.423588  1
  H  H77  1  0.386462  0.743955  0.445185  1
  H  H78  1  1.009088  0.245330  0.448852  1
  H  H79  1  0.886462  0.743955  0.445185  1
  H  H80  1  0.509088  0.245330  0.448852  1
  H  H81  1  0.417886  0.614420  0.466855  1
  H  H82  1  1.041947  0.114701  0.470806  1
  H  H83  1  0.917886  0.614420  0.466855  1
  H  H84  1  0.541947  0.114701  0.470806  1
  H  H85  1  0.449357  0.484880  0.488499  1
  H  H86  1  0.825296  0.984598  0.484548  1
  H  H87  1  0.949357  0.484880  0.488499  1
  H  H88  1  0.325296  0.984598  0.484548  1
  H  H89  1  0.229090  0.365072  0.468709  1
  H  H90  1  0.606446  0.863705  0.465040  1
  H  H91  1  0.729090  0.365072  0.468709  1
  H  H92  1  0.106446  0.863705  0.465040  1
  H  H93  1  0.138153  0.734227  0.486645  1
  H  H94  1  0.760797  0.235594  0.490314  1
  H  H95  1  0.638153  0.734227  0.486645  1
  H  H96  1  0.260797  0.235594  0.490314  1
  H  H97  1  0.169573  0.604697  0.508317  1
  H  H98  1  0.793665  0.104960  0.512267  1
  H  H99  1  0.669573  0.604697  0.508317  1
  H  H100  1  0.293665  0.104960  0.512267  1
  H  H101  1  0.201038  0.475158  0.529955  1
  H  H102  1  0.577018  0.974858  0.526002  1
  H  H103  1  0.701038  0.475158  0.529955  1
  H  H104  1  0.077018  0.974858  0.526002  1
  H  H105  1  0.980781  0.355344  0.510169  1
  H  H106  1  0.358155  0.853969  0.506502  1
  H  H107  1  0.480781  0.355344  0.510169  1
  H  H108  1  0.858155  0.853969  0.506502  1
  H  H109  1  0.889853  0.724498  0.528103  1
  H  H110  1  0.512496  0.225855  0.531766  1
  H  H111  1  0.389853  0.724498  0.528103  1
  H  H112  1  1.012496  0.225855  0.531766  1
  H  H113  1  0.921263  0.594980  0.549789  1
  H  H114  1  0.545386  0.095211  0.553736  1
  H  H115  1  0.421263  0.594980  0.549789  1
  H  H116  1  0.045386  0.095211  0.553736  1
  H  H117  1  0.952706  0.465449  0.571400  1
  H  H118  1  0.328749  0.965106  0.567437  1
  H  H119  1  0.452706  0.465449  0.571400  1
  H  H120  1  0.828749  0.965106  0.567437  1
  H  H121  1  0.732461  0.345621  0.551632  1
  H  H122  1  0.109879  0.844229  0.547974  1
  H  H123  1  0.232461  0.345621  0.551632  1
  H  H124  1  0.609879  0.844229  0.547974  1
  H  H125  1  0.641563  0.714764  0.569556  1
  H  H126  1  0.264188  0.216113  0.573201  1
  H  H127  1  0.141563  0.714764  0.569556  1
  H  H128  1  0.764188  0.216113  0.573201  1
  H  H129  1  0.672961  0.585264  0.591286  1
  H  H130  1  0.297124  0.085427  0.595221  1
  H  H131  1  0.172961  0.585264  0.591286  1
  H  H132  1  0.797124  0.085427  0.595221  1
  H  H133  1  0.704367  0.455706  0.612801  1
  H  H134  1  0.080533  0.955302  0.608812  1
  H  H135  1  0.204367  0.455706  0.612801  1
  H  H136  1  0.580533  0.955302  0.608812  1
  H  H137  1  0.484124  0.335918  0.593107  1
  H  H138  1  0.861631  0.834466  0.589470  1
  H  H139  1  0.984124  0.335918  0.593107  1
  H  H140  1  0.361631  0.834466  0.589470  1
  H  H141  1  0.393298  0.704955  0.610968  1
  H  H142  1  1.015854  0.206354  0.614573  1
  H  H143  1  0.893298  0.704955  0.610968  1
  H  H144  1  0.515854  0.206354  0.614573  1
  H  H145  1  0.424685  0.575377  0.632789  1
  H  H146  1  0.048888  0.075614  0.636677  1
  H  H147  1  0.924685  0.575377  0.632789  1
  H  H148  1  0.548888  0.075614  0.636677  1
  H  H149  1  0.456032  0.445866  0.653949  1
  H  H150  1  0.832354  0.945528  0.649883  1
  H  H151  1  0.956032  0.445866  0.653949  1
  H  H152  1  0.332354  0.945528  0.649883  1
  H  H153  1  0.235752  0.326161  0.634574  1
  H  H154  1  0.613402  0.824549  0.630965  1
  H  H155  1  0.735752  0.326161  0.634574  1
  H  H156  1  0.113402  0.824549  0.630965  1
  H  H157  1  0.145112  0.694848  0.652103  1
  H  H158  1  0.767420  0.196643  0.655659  1
  H  H159  1  0.645112  0.694848  0.652103  1
  H  H160  1  0.267420  0.196643  0.655659  1
  H  H161  1  0.176240  0.565643  0.674468  1
  H  H162  1  0.800671  0.066152  0.678257  1
  H  H163  1  0.676240  0.565643  0.674468  1
  H  H164  1  0.300671  0.066152  0.678257  1
  H  H165  1  0.207882  0.436376  0.695998  1
  H  H166  1  0.584162  0.935548  0.691677  1
  H  H167  1  0.707882  0.436376  0.695998  1
  H  H168  1  0.084162  0.935548  0.691677  1
  H  H169  1  0.987019  0.316817  0.676193  1
  H  H170  1  0.364991  0.814620  0.672566  1
  H  H171  1  0.487019  0.316817  0.676193  1
  H  H172  1  0.864991  0.814620  0.672566  1
  H  H173  1  0.897006  0.685474  0.694120  1
  H  H174  1  0.519064  0.188016  0.697602  1
  H  H175  1  0.397006  0.685474  0.694120  1
  H  H176  1  1.019064  0.188016  0.697602  1
