# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53267468
_cell_length_b   9.13791117
_cell_length_c   46.02295729
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.83097136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H156
_cell_volume   2675.09145534
_cell_formula_units_Z   78
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  0.194940  0.684444  0.293395  1
  H  H2  1  0.645951  0.712836  0.284921  1
  H  H3  1  0.645951  0.379502  0.284921  1
  H  H4  1  0.194940  0.351111  0.293395  1
  H  H5  1  0.194940  0.017777  0.293395  1
  H  H6  1  0.645951  0.046169  0.284921  1
  H  H7  1  0.283077  0.633363  0.308642  1
  H  H8  1  0.734088  0.661754  0.300168  1
  H  H9  1  0.734088  0.328421  0.300168  1
  H  H10  1  0.283077  0.300029  0.308642  1
  H  H11  1  0.283077  0.966696  0.308642  1
  H  H12  1  0.734088  0.995088  0.300168  1
  H  H13  1  0.387359  0.572924  0.326682  1
  H  H14  1  0.838371  0.601316  0.318208  1
  H  H15  1  0.838371  0.267982  0.318208  1
  H  H16  1  0.387359  0.239591  0.326682  1
  H  H17  1  0.387359  0.906257  0.326682  1
  H  H18  1  0.838371  0.934649  0.318208  1
  H  H19  1  0.482984  0.517503  0.343225  1
  H  H20  1  0.933996  0.545895  0.334750  1
  H  H21  1  0.933996  0.212561  0.334750  1
  H  H22  1  0.482984  0.184169  0.343225  1
  H  H23  1  0.482984  0.850836  0.343225  1
  H  H24  1  0.933996  0.879228  0.334750  1
  H  H25  1  0.582175  0.460015  0.360384  1
  H  H26  1  0.033187  0.488407  0.351910  1
  H  H27  1  0.033187  0.155073  0.351910  1
  H  H28  1  0.582175  0.126681  0.360384  1
  H  H29  1  0.582175  0.793348  0.360384  1
  H  H30  1  0.033187  0.821740  0.351910  1
  H  H31  1  0.679649  0.403522  0.377246  1
  H  H32  1  0.130661  0.431914  0.368772  1
  H  H33  1  0.130661  0.098581  0.368772  1
  H  H34  1  0.679649  0.070189  0.377246  1
  H  H35  1  0.679649  0.736855  0.377246  1
  H  H36  1  0.130661  0.765247  0.368772  1
  H  H37  1  0.777903  0.346577  0.394244  1
  H  H38  1  0.228915  0.374969  0.385769  1
  H  H39  1  0.228915  0.041636  0.385769  1
  H  H40  1  0.777903  0.013244  0.394244  1
  H  H41  1  0.777903  0.679911  0.394244  1
  H  H42  1  0.228915  0.708303  0.385769  1
  H  H43  1  0.875791  0.289844  0.411178  1
  H  H44  1  0.326803  0.318236  0.402703  1
  H  H45  1  0.326803  0.984903  0.402703  1
  H  H46  1  0.875791  0.956511  0.411178  1
  H  H47  1  0.875791  0.623178  0.411178  1
  H  H48  1  0.326803  0.651570  0.402703  1
  H  H49  1  0.973849  0.233014  0.428141  1
  H  H50  1  0.424861  0.261405  0.419666  1
  H  H51  1  0.424861  0.928072  0.419666  1
  H  H52  1  0.973849  0.899680  0.428141  1
  H  H53  1  0.973849  0.566347  0.428141  1
  H  H54  1  0.424861  0.594739  0.419666  1
  H  H55  1  0.071827  0.176228  0.445090  1
  H  H56  1  0.522839  0.204620  0.436616  1
  H  H57  1  0.522839  0.871287  0.436616  1
  H  H58  1  0.071827  0.842895  0.445090  1
  H  H59  1  0.071827  0.509562  0.445090  1
  H  H60  1  0.522839  0.537953  0.436616  1
  H  H61  1  0.169843  0.119422  0.462046  1
  H  H62  1  0.620855  0.147814  0.453572  1
  H  H63  1  0.620855  0.814480  0.453572  1
  H  H64  1  0.169843  0.786088  0.462046  1
  H  H65  1  0.169843  0.452755  0.462046  1
  H  H66  1  0.620855  0.481147  0.453572  1
  H  H67  1  0.267841  0.062625  0.478999  1
  H  H68  1  0.718853  0.091017  0.470525  1
  H  H69  1  0.718853  0.757684  0.470525  1
  H  H70  1  0.267841  0.729292  0.478999  1
  H  H71  1  0.267841  0.395959  0.478999  1
  H  H72  1  0.718853  0.424350  0.470525  1
  H  H73  1  0.365847  0.005824  0.495954  1
  H  H74  1  0.816859  0.034216  0.487479  1
  H  H75  1  0.816859  0.700882  0.487479  1
  H  H76  1  0.365847  0.672490  0.495954  1
  H  H77  1  0.365847  0.339157  0.495954  1
  H  H78  1  0.816859  0.367549  0.487479  1
  H  H79  1  0.463849  0.949025  0.512907  1
  H  H80  1  0.914861  0.977417  0.504433  1
  H  H81  1  0.914861  0.644084  0.504433  1
  H  H82  1  0.463849  0.615692  0.512907  1
  H  H83  1  0.463849  0.282359  0.512907  1
  H  H84  1  0.914861  0.310751  0.504433  1
  H  H85  1  0.561856  0.892224  0.529862  1
  H  H86  1  0.012867  0.920616  0.521387  1
  H  H87  1  0.012867  0.587282  0.521387  1
  H  H88  1  0.561856  0.558891  0.529862  1
  H  H89  1  0.561856  0.225557  0.529862  1
  H  H90  1  0.012867  0.253949  0.521387  1
  H  H91  1  0.659854  0.835427  0.546815  1
  H  H92  1  0.110866  0.863819  0.538340  1
  H  H93  1  0.110866  0.530486  0.538340  1
  H  H94  1  0.659854  0.502094  0.546815  1
  H  H95  1  0.659854  0.168761  0.546815  1
  H  H96  1  0.110866  0.197153  0.538340  1
  H  H97  1  0.757869  0.778621  0.563771  1
  H  H98  1  0.208881  0.807013  0.555296  1
  H  H99  1  0.208881  0.473679  0.555296  1
  H  H100  1  0.757869  0.445288  0.563771  1
  H  H101  1  0.757869  0.111954  0.563771  1
  H  H102  1  0.208881  0.140346  0.555296  1
  H  H103  1  0.855848  0.721836  0.580720  1
  H  H104  1  0.306860  0.750227  0.572246  1
  H  H105  1  0.306860  0.416894  0.572246  1
  H  H106  1  0.855848  0.388502  0.580720  1
  H  H107  1  0.855848  0.055169  0.580720  1
  H  H108  1  0.306860  0.083561  0.572246  1
  H  H109  1  0.953905  0.665005  0.597683  1
  H  H110  1  0.404917  0.693397  0.589209  1
  H  H111  1  0.404917  0.360063  0.589209  1
  H  H112  1  0.953905  0.331671  0.597683  1
  H  H113  1  0.953905  0.998338  0.597683  1
  H  H114  1  0.404917  0.026730  0.589209  1
  H  H115  1  0.051793  0.608272  0.614617  1
  H  H116  1  0.502805  0.636664  0.606143  1
  H  H117  1  0.502805  0.303330  0.606143  1
  H  H118  1  0.051793  0.274938  0.614617  1
  H  H119  1  0.051793  0.941605  0.614617  1
  H  H120  1  0.502805  0.969997  0.606143  1
  H  H121  1  0.150047  0.551327  0.631614  1
  H  H122  1  0.601059  0.579719  0.623140  1
  H  H123  1  0.601059  0.246386  0.623140  1
  H  H124  1  0.150047  0.217994  0.631614  1
  H  H125  1  0.150047  0.884660  0.631614  1
  H  H126  1  0.601059  0.913052  0.623140  1
  H  H127  1  0.247521  0.494834  0.648477  1
  H  H128  1  0.698533  0.523226  0.640002  1
  H  H129  1  0.698533  0.189893  0.640002  1
  H  H130  1  0.247521  0.161501  0.648477  1
  H  H131  1  0.247521  0.828168  0.648477  1
  H  H132  1  0.698533  0.856560  0.640002  1
  H  H133  1  0.346712  0.437347  0.665636  1
  H  H134  1  0.797724  0.465738  0.657161  1
  H  H135  1  0.797724  0.132405  0.657161  1
  H  H136  1  0.346712  0.104013  0.665636  1
  H  H137  1  0.346712  0.770680  0.665636  1
  H  H138  1  0.797724  0.799072  0.657161  1
  H  H139  1  0.442337  0.381925  0.682178  1
  H  H140  1  0.893349  0.410317  0.673704  1
  H  H141  1  0.893349  0.076984  0.673704  1
  H  H142  1  0.442337  0.048592  0.682178  1
  H  H143  1  0.442337  0.715259  0.682178  1
  H  H144  1  0.893349  0.743650  0.673704  1
  H  H145  1  0.546620  0.321487  0.700219  1
  H  H146  1  0.997632  0.349878  0.691744  1
  H  H147  1  0.997632  0.016545  0.691744  1
  H  H148  1  0.546620  0.988153  0.700219  1
  H  H149  1  0.546620  0.654820  0.700219  1
  H  H150  1  0.997632  0.683212  0.691744  1
  H  H151  1  0.634757  0.270405  0.715466  1
  H  H152  1  0.085769  0.298797  0.706991  1
  H  H153  1  0.085769  0.965464  0.706991  1
  H  H154  1  0.634757  0.937072  0.715466  1
  H  H155  1  0.634757  0.603739  0.715466  1
  H  H156  1  0.085769  0.632130  0.706991  1
