# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   26.66248507
_cell_length_b   17.17803207
_cell_length_c   48.74812779
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   140.90154677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   14080.6829663
_cell_formula_units_Z   72
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  0.913487  0.715863  0.310185  1
  H  H2  1  0.580154  0.715863  0.310185  1
  H  H3  1  0.538884  0.299990  0.291667  1
  H  H4  1  0.246820  0.715863  0.310185  1
  H  H5  1  0.205551  0.299990  0.291667  1
  H  H6  1  0.288090  0.131735  0.328704  1
  H  H7  1  0.872217  0.299990  0.291667  1
  H  H8  1  0.954757  0.131735  0.328704  1
  H  H9  1  0.621423  0.131735  0.328704  1
  H  H10  1  0.740472  0.592054  0.282407  1
  H  H11  1  0.407138  0.592054  0.282407  1
  H  H12  1  0.489677  0.423799  0.319444  1
  H  H13  1  0.073805  0.592054  0.282407  1
  H  H14  1  0.156344  0.423799  0.319444  1
  H  H15  1  0.115074  0.007927  0.300926  1
  H  H16  1  0.823011  0.423799  0.319444  1
  H  H17  1  0.781741  0.007927  0.300926  1
  H  H18  1  0.448408  0.007927  0.300926  1
  H  H19  1  0.037296  0.963480  0.365741  1
  H  H20  1  0.703962  0.963480  0.365741  1
  H  H21  1  0.662693  0.547608  0.347222  1
  H  H22  1  0.370629  0.963480  0.365741  1
  H  H23  1  0.329359  0.547608  0.347222  1
  H  H24  1  0.411898  0.379353  0.384259  1
  H  H25  1  0.996026  0.547608  0.347222  1
  H  H26  1  0.078565  0.379353  0.384259  1
  H  H27  1  0.745232  0.379353  0.384259  1
  H  H28  1  0.864280  0.839671  0.337963  1
  H  H29  1  0.530947  0.839671  0.337963  1
  H  H30  1  0.613486  0.671416  0.375000  1
  H  H31  1  0.197614  0.839671  0.337963  1
  H  H32  1  0.280153  0.671416  0.375000  1
  H  H33  1  0.238883  0.255544  0.356481  1
  H  H34  1  0.946819  0.671416  0.375000  1
  H  H35  1  0.905550  0.255544  0.356481  1
  H  H36  1  0.572216  0.255544  0.356481  1
  H  H37  1  0.161104  0.211097  0.421296  1
  H  H38  1  0.827771  0.211097  0.421296  1
  H  H39  1  0.786501  0.795225  0.402778  1
  H  H40  1  0.494438  0.211097  0.421296  1
  H  H41  1  0.453168  0.795225  0.402778  1
  H  H42  1  0.535707  0.626970  0.439815  1
  H  H43  1  0.119835  0.795225  0.402778  1
  H  H44  1  0.202374  0.626970  0.439815  1
  H  H45  1  0.869040  0.626970  0.439815  1
  H  H46  1  0.988089  0.087289  0.393519  1
  H  H47  1  0.654755  0.087289  0.393519  1
  H  H48  1  0.737295  0.919034  0.430556  1
  H  H49  1  0.321422  0.087289  0.393519  1
  H  H50  1  0.403961  0.919034  0.430556  1
  H  H51  1  0.362692  0.503161  0.412037  1
  H  H52  1  0.070628  0.919034  0.430556  1
  H  H53  1  0.029358  0.503161  0.412037  1
  H  H54  1  0.696025  0.503161  0.412037  1
  H  H55  1  0.284913  0.458715  0.476852  1
  H  H56  1  0.951580  0.458715  0.476852  1
  H  H57  1  0.910310  0.042842  0.458333  1
  H  H58  1  0.618246  0.458715  0.476852  1
  H  H59  1  0.576977  0.042842  0.458333  1
  H  H60  1  0.659516  0.874587  0.495370  1
  H  H61  1  0.243643  0.042842  0.458333  1
  H  H62  1  0.326182  0.874587  0.495370  1
  H  H63  1  0.992849  0.874587  0.495370  1
  H  H64  1  0.111897  0.334906  0.449074  1
  H  H65  1  0.778564  0.334906  0.449074  1
  H  H66  1  0.861103  0.166651  0.486111  1
  H  H67  1  0.445231  0.334906  0.449074  1
  H  H68  1  0.527770  0.166651  0.486111  1
  H  H69  1  0.486500  0.750778  0.467593  1
  H  H70  1  0.194436  0.166651  0.486111  1
  H  H71  1  0.153167  0.750778  0.467593  1
  H  H72  1  0.819834  0.750778  0.467593  1
  H  H73  1  0.408721  0.706332  0.532407  1
  H  H74  1  0.075388  0.706332  0.532407  1
  H  H75  1  0.034119  0.290459  0.513889  1
  H  H76  1  0.742055  0.706332  0.532407  1
  H  H77  1  0.700785  0.290459  0.513889  1
  H  H78  1  0.783324  0.122204  0.550926  1
  H  H79  1  0.367452  0.290459  0.513889  1
  H  H80  1  0.449991  0.122204  0.550926  1
  H  H81  1  0.116658  0.122204  0.550926  1
  H  H82  1  0.235706  0.582523  0.504630  1
  H  H83  1  0.902373  0.582523  0.504630  1
  H  H84  1  0.984912  0.414268  0.541667  1
  H  H85  1  0.569039  0.582523  0.504630  1
  H  H86  1  0.651578  0.414268  0.541667  1
  H  H87  1  0.610309  0.998396  0.523148  1
  H  H88  1  0.318245  0.414268  0.541667  1
  H  H89  1  0.276976  0.998396  0.523148  1
  H  H90  1  0.943642  0.998396  0.523148  1
  H  H91  1  0.532530  0.953949  0.587963  1
  H  H92  1  0.199197  0.953949  0.587963  1
  H  H93  1  0.157927  0.538077  0.569444  1
  H  H94  1  0.865863  0.953949  0.587963  1
  H  H95  1  0.824594  0.538077  0.569444  1
  H  H96  1  0.907133  0.369821  0.606481  1
  H  H97  1  0.491261  0.538077  0.569444  1
  H  H98  1  0.573800  0.369821  0.606481  1
  H  H99  1  0.240466  0.369821  0.606481  1
  H  H100  1  0.359515  0.830140  0.560185  1
  H  H101  1  0.026181  0.830140  0.560185  1
  H  H102  1  0.108720  0.661885  0.597222  1
  H  H103  1  0.692848  0.830140  0.560185  1
  H  H104  1  0.775387  0.661885  0.597222  1
  H  H105  1  0.734118  0.246013  0.578704  1
  H  H106  1  0.442054  0.661885  0.597222  1
  H  H107  1  0.400784  0.246013  0.578704  1
  H  H108  1  0.067451  0.246013  0.578704  1
  H  H109  1  0.656339  0.201566  0.643519  1
  H  H110  1  0.323005  0.201566  0.643519  1
  H  H111  1  0.281736  0.785694  0.625000  1
  H  H112  1  0.989672  0.201566  0.643519  1
  H  H113  1  0.948402  0.785694  0.625000  1
  H  H114  1  0.030942  0.617439  0.662037  1
  H  H115  1  0.615069  0.785694  0.625000  1
  H  H116  1  0.697608  0.617439  0.662037  1
  H  H117  1  0.364275  0.617439  0.662037  1
  H  H118  1  0.483323  0.077758  0.615741  1
  H  H119  1  0.149990  0.077758  0.615741  1
  H  H120  1  0.232529  0.909502  0.652778  1
  H  H121  1  0.816657  0.077758  0.615741  1
  H  H122  1  0.899196  0.909502  0.652778  1
  H  H123  1  0.857926  0.493630  0.634259  1
  H  H124  1  0.565862  0.909502  0.652778  1
  H  H125  1  0.524593  0.493630  0.634259  1
  H  H126  1  0.191259  0.493630  0.634259  1
  H  H127  1  0.780147  0.449183  0.699074  1
  H  H128  1  0.446814  0.449183  0.699074  1
  H  H129  1  0.405544  0.033311  0.680556  1
  H  H130  1  0.113481  0.449183  0.699074  1
  H  H131  1  0.072211  0.033311  0.680556  1
  H  H132  1  0.154750  0.865056  0.717593  1
  H  H133  1  0.738878  0.033311  0.680556  1
  H  H134  1  0.821417  0.865056  0.717593  1
  H  H135  1  0.488084  0.865056  0.717593  1
  H  H136  1  0.607132  0.325375  0.671296  1
  H  H137  1  0.273799  0.325375  0.671296  1
  H  H138  1  0.356338  0.157120  0.708333  1
  H  H139  1  0.940465  0.325375  0.671296  1
  H  H140  1  0.023004  0.157120  0.708333  1
  H  H141  1  0.981735  0.741247  0.689815  1
  H  H142  1  0.689671  0.157120  0.708333  1
  H  H143  1  0.648401  0.741247  0.689815  1
  H  H144  1  0.315068  0.741247  0.689815  1
