# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55460323
_cell_length_b   8.77049086
_cell_length_c   46.07248317
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.96246941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   3205.87127201
_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  0.791342  0.878013  0.326265  1
  H  H2  1  0.534941  0.838407  0.351658  1
  H  H3  1  0.285120  0.799911  0.373402  1
  H  H4  1  0.728943  0.119766  0.330875  1
  H  H5  1  0.165790  0.361576  0.338639  1
  H  H6  1  0.986497  0.147337  0.308215  1
  H  H7  1  0.909844  0.317960  0.360767  1
  H  H8  1  0.666010  0.278888  0.386674  1
  H  H9  1  0.919506  0.390289  0.313096  1
  H  H10  1  0.549309  0.898250  0.303406  1
  H  H11  1  0.353064  0.632182  0.320863  1
  H  H12  1  0.098635  0.604533  0.342612  1
  H  H13  1  0.785120  0.799911  0.373402  1
  H  H14  1  0.291342  0.878013  0.326265  1
  H  H15  1  0.034941  0.838407  0.351658  1
  H  H16  1  0.665790  0.361576  0.338639  1
  H  H17  1  0.486497  0.147337  0.308215  1
  H  H18  1  0.228943  0.119766  0.330875  1
  H  H19  1  0.419506  0.390289  0.313096  1
  H  H20  1  0.409844  0.317960  0.360767  1
  H  H21  1  0.166010  0.278888  0.386674  1
  H  H22  1  0.853064  0.632182  0.320863  1
  H  H23  1  0.598635  0.604533  0.342612  1
  H  H24  1  0.049309  0.898250  0.303406  1
  H  H25  1  0.035688  0.750458  0.398038  1
  H  H26  1  0.784629  0.707485  0.418480  1
  H  H27  1  0.548125  0.662457  0.445197  1
  H  H28  1  0.982889  -0.002080  0.402830  1
  H  H29  1  0.480418  0.082624  0.356319  1
  H  H30  1  0.226030  0.038099  0.377704  1
  H  H31  1  0.173583  0.193901  0.434995  1
  H  H32  1  0.726340  0.948339  0.423819  1
  H  H33  1  0.407968  0.228742  0.406607  1
  H  H34  1  0.849322  0.557274  0.369372  1
  H  H35  1  0.593397  0.514397  0.389359  1
  H  H36  1  0.350913  0.468361  0.417850  1
  H  H37  1  0.048125  0.662457  0.445197  1
  H  H38  1  0.535688  0.750458  0.398038  1
  H  H39  1  0.284629  0.707485  0.418480  1
  H  H40  1  0.980418  0.082624  0.356319  1
  H  H41  1  0.726030  0.038099  0.377704  1
  H  H42  1  0.482889  -0.002080  0.402830  1
  H  H43  1  0.907968  0.228742  0.406607  1
  H  H44  1  0.673583  0.193901  0.434995  1
  H  H45  1  0.226340  0.948339  0.423819  1
  H  H46  1  0.093397  0.514397  0.389359  1
  H  H47  1  0.850913  0.468361  0.417850  1
  H  H48  1  0.349322  0.557274  0.369372  1
  H  H49  1  0.292459  0.612340  0.463066  1
  H  H50  1  0.871613  0.380060  0.469534  1
  H  H51  1  0.699720  0.256033  0.520641  1
  H  H52  1  0.084491  0.616620  0.493472  1
  H  H53  1  0.732886  0.873257  0.470680  1
  H  H54  1  0.442446  0.810608  0.495845  1
  H  H55  1  0.393559  0.122884  0.499911  1
  H  H56  1  0.206795  0.881108  0.518258  1
  H  H57  1  0.478011  0.896178  0.447950  1
  H  H58  1  0.089838  0.421433  0.435034  1
  H  H59  1  0.909025  0.138583  0.452403  1
  H  H60  1  0.610500  0.345084  0.480050  1
  H  H61  1  0.199720  0.256033  0.520641  1
  H  H62  1  0.792459  0.612340  0.463066  1
  H  H63  1  0.371613  0.380060  0.469534  1
  H  H64  1  0.232886  0.873257  0.470680  1
  H  H65  1  0.942446  0.810608  0.495845  1
  H  H66  1  0.584491  0.616620  0.493472  1
  H  H67  1  0.978011  0.896178  0.447950  1
  H  H68  1  0.893559  0.122884  0.499911  1
  H  H69  1  0.706795  0.881108  0.518258  1
  H  H70  1  0.409025  0.138583  0.452403  1
  H  H71  1  0.110500  0.345084  0.480050  1
  H  H72  1  0.589838  0.421433  0.435034  1
  H  H73  1  0.331735  0.125682  0.547671  1
  H  H74  1  0.096276  0.185969  0.569017  1
  H  H75  1  0.892984  0.913423  0.582833  1
  H  H76  1  0.459047  0.383805  0.571690  1
  H  H77  1  0.807590  0.536440  0.509656  1
  H  H78  1  0.489587  0.376245  0.522638  1
  H  H79  1  0.552075  0.627694  0.542470  1
  H  H80  1  0.234771  0.460314  0.554756  1
  H  H81  1  0.837885  0.741705  0.543592  1
  H  H82  1  0.133162  0.081591  0.481629  1
  H  H83  1  1.014732  0.001083  0.531942  1
  H  H84  1  0.635726  0.886603  0.565064  1
  H  H85  1  0.392984  0.913423  0.582833  1
  H  H86  1  0.831735  0.125682  0.547671  1
  H  H87  1  0.596276  0.185969  0.569017  1
  H  H88  1  0.307590  0.536440  0.509656  1
  H  H89  1  0.989587  0.376245  0.522638  1
  H  H90  1  0.959047  0.383805  0.571690  1
  H  H91  1  0.337885  0.741705  0.543592  1
  H  H92  1  0.052075  0.627694  0.542470  1
  H  H93  1  0.734771  0.460314  0.554756  1
  H  H94  1  0.514732  0.001083  0.531942  1
  H  H95  1  0.135726  0.886603  0.565064  1
  H  H96  1  0.633162  0.081591  0.481629  1
  H  H97  1  0.630257  0.857162  0.612518  1
  H  H98  1  0.364927  0.798232  0.629456  1
  H  H99  1  0.133396  0.764064  0.658308  1
  H  H100  1  0.554969  0.094186  0.616424  1
  H  H101  1  0.248508  0.386198  0.601402  1
  H  H102  1  0.805131  0.126465  0.595404  1
  H  H103  1  0.752239  0.281490  0.645372  1
  H  H104  1  0.503989  0.241193  0.666712  1
  H  H105  1  0.994675  0.333148  0.619898  1
  H  H106  1  0.429728  0.655517  0.584276  1
  H  H107  1  0.169618  0.619333  0.594339  1
  H  H108  1  0.957070  0.575851  0.628301  1
  H  H109  1  0.633396  0.764064  0.658308  1
  H  H110  1  0.130257  0.857162  0.612518  1
  H  H111  1  0.864927  0.798232  0.629456  1
  H  H112  1  0.748508  0.386198  0.601402  1
  H  H113  1  0.305131  0.126465  0.595404  1
  H  H114  1  0.054969  0.094186  0.616424  1
  H  H115  1  0.494675  0.333148  0.619898  1
  H  H116  1  0.252239  0.281490  0.645372  1
  H  H117  1  1.003989  0.241193  0.666712  1
  H  H118  1  0.669618  0.619333  0.594339  1
  H  H119  1  0.457070  0.575851  0.628301  1
  H  H120  1  0.929728  0.655517  0.584276  1
  H  H121  1  0.873424  0.712957  0.678632  1
  H  H122  1  0.621854  0.680406  0.705208  1
  H  H123  1  0.422963  0.409577  0.720123  1
  H  H124  1  0.053373  0.922438  0.709623  1
  H  H125  1  0.310471  0.041752  0.642019  1
  H  H126  1  0.051270  0.990659  0.661461  1
  H  H127  1  1.002503  0.177120  0.714874  1
  H  H128  1  0.812714  0.955451  0.688647  1
  H  H129  1  0.248486  0.191467  0.691060  1
  H  H130  1  0.696116  0.526889  0.645941  1
  H  H131  1  0.448482  0.478348  0.672605  1
  H  H132  1  0.191382  0.444422  0.694929  1
  H  H133  1  0.922963  0.409577  0.720123  1
  H  H134  1  0.373424  0.712957  0.678632  1
  H  H135  1  0.121854  0.680406  0.705208  1
  H  H136  1  0.810471  0.041752  0.642019  1
  H  H137  1  0.551270  0.990659  0.661461  1
  H  H138  1  0.553373  0.922438  0.709623  1
  H  H139  1  0.748486  0.191467  0.691060  1
  H  H140  1  0.502503  0.177120  0.714874  1
  H  H141  1  0.312714  0.955451  0.688647  1
  H  H142  1  0.948482  0.478348  0.672605  1
  H  H143  1  0.691382  0.444422  0.694929  1
  H  H144  1  0.196116  0.526889  0.645941  1
