# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48318652
_cell_length_b   15.46637111
_cell_length_c   46.58098717
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.10291608
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H160
_cell_volume   3222.39338727
_cell_formula_units_Z   80
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  0.307472  0.846798  0.316670  1
  H  H2  1  0.176997  0.357173  0.292971  1
  H  H3  1  0.272450  -0.018305  0.297697  1
  H  H4  1  0.395613  0.491929  0.283057  1
  H  H5  1  0.994331  0.091711  0.323742  1
  H  H6  1  1.120317  0.601684  0.308960  1
  H  H7  1  0.959122  0.224364  0.303911  1
  H  H8  1  1.084781  0.737149  0.290437  1
  H  H9  1  0.807472  0.846798  0.316670  1
  H  H10  1  0.676997  0.357173  0.292971  1
  H  H11  1  0.772450  -0.018305  0.297697  1
  H  H12  1  0.895613  0.491929  0.283057  1
  H  H13  1  0.494331  0.091711  0.323742  1
  H  H14  1  0.620317  0.601684  0.308960  1
  H  H15  1  0.459122  0.224364  0.303911  1
  H  H16  1  0.584781  0.737149  0.290437  1
  H  H17  1  1.064123  0.820074  0.360672  1
  H  H18  1  0.929607  0.332451  0.337430  1
  H  H19  1  1.027989  -0.043300  0.342693  1
  H  H20  1  1.153819  0.464039  0.327163  1
  H  H21  1  0.746750  0.068511  0.367855  1
  H  H22  1  0.878427  0.575038  0.352920  1
  H  H23  1  0.713605  0.203501  0.349347  1
  H  H24  1  0.842275  0.710811  0.335282  1
  H  H25  1  0.564123  0.820074  0.360672  1
  H  H26  1  0.429607  0.332451  0.337430  1
  H  H27  1  0.527989  -0.043300  0.342693  1
  H  H28  1  0.653819  0.464039  0.327163  1
  H  H29  1  0.246750  0.068511  0.367855  1
  H  H30  1  0.378427  0.575038  0.352920  1
  H  H31  1  0.213605  0.203501  0.349347  1
  H  H32  1  0.342275  0.710811  0.335282  1
  H  H33  1  0.818973  0.794012  0.404475  1
  H  H34  1  0.677103  0.312311  0.382449  1
  H  H35  1  0.783393  0.930518  0.386026  1
  H  H36  1  0.913862  0.439426  0.370315  1
  H  H37  1  0.501567  0.041529  0.410857  1
  H  H38  1  0.648975  0.543993  0.397385  1
  H  H39  1  0.461039  0.181465  0.394534  1
  H  H40  1  0.599933  0.683121  0.379079  1
  H  H41  1  0.318973  0.794012  0.404475  1
  H  H42  1  0.177103  0.312311  0.382449  1
  H  H43  1  0.283393  0.930518  0.386026  1
  H  H44  1  0.413862  0.439426  0.370315  1
  H  H45  1  1.001567  0.041529  0.410857  1
  H  H46  1  1.148975  0.543993  0.397385  1
  H  H47  1  0.961039  0.181465  0.394534  1
  H  H48  1  1.099933  0.683121  0.379079  1
  H  H49  1  0.573052  0.769699  0.448424  1
  H  H50  1  0.667759  0.276409  0.429456  1
  H  H51  1  0.537547  0.905395  0.429828  1
  H  H52  1  0.864227  0.407758  0.416922  1
  H  H53  1  0.248057  0.018082  0.454718  1
  H  H54  1  0.498895  0.522341  0.442629  1
  H  H55  1  0.451481  0.149085  0.442718  1
  H  H56  1  0.362235  0.656568  0.422867  1
  H  H57  1  1.073052  0.769699  0.448424  1
  H  H58  1  0.167759  0.276409  0.429456  1
  H  H59  1  1.037547  0.905395  0.429828  1
  H  H60  1  0.364227  0.407758  0.416922  1
  H  H61  1  0.748057  0.018082  0.454718  1
  H  H62  1  0.998895  0.522341  0.442629  1
  H  H63  1  0.951481  0.149085  0.442718  1
  H  H64  1  0.862235  0.656568  0.422867  1
  H  H65  1  0.356001  0.747939  0.492782  1
  H  H66  1  0.422222  0.259710  0.474483  1
  H  H67  1  0.287793  0.882799  0.473858  1
  H  H68  1  0.637110  0.389918  0.462225  1
  H  H69  1  0.994101  -0.003128  0.498872  1
  H  H70  1  0.325434  0.504628  0.487817  1
  H  H71  1  0.204641  0.128330  0.487002  1
  H  H72  1  0.172704  0.635328  0.467479  1
  H  H73  1  0.856001  0.747939  0.492782  1
  H  H74  1  0.922222  0.259710  0.474483  1
  H  H75  1  0.787793  0.882799  0.473858  1
  H  H76  1  1.137110  0.389918  0.462225  1
  H  H77  1  0.494101  -0.003128  0.498872  1
  H  H78  1  0.825434  0.504628  0.487817  1
  H  H79  1  0.704641  0.128330  0.487002  1
  H  H80  1  0.672704  0.635328  0.467479  1
  H  H81  1  0.205200  0.730627  0.538433  1
  H  H82  1  0.173262  0.237625  0.518909  1
  H  H83  1  1.052469  0.861327  0.518095  1
  H  H84  1  0.383803  0.369083  0.507040  1
  H  H85  1  0.740794  -0.023963  0.543686  1
  H  H86  1  1.090110  0.483155  0.532053  1
  H  H87  1  0.955682  0.106245  0.531429  1
  H  H88  1  1.021903  0.618016  0.513130  1
  H  H89  1  0.705200  0.730627  0.538433  1
  H  H90  1  0.673262  0.237625  0.518909  1
  H  H91  1  0.552469  0.861327  0.518095  1
  H  H92  1  0.883803  0.369083  0.507040  1
  H  H93  1  0.240794  -0.023963  0.543686  1
  H  H94  1  0.590110  0.483155  0.532053  1
  H  H95  1  0.455682  0.106245  0.531429  1
  H  H96  1  0.521903  0.618016  0.513130  1
  H  H97  1  1.015669  0.709387  0.583044  1
  H  H98  1  0.926422  0.216870  0.563193  1
  H  H99  1  0.879008  0.843614  0.563282  1
  H  H100  1  1.129846  0.347873  0.551193  1
  H  H101  1  0.513677  -0.041803  0.588989  1
  H  H102  1  0.840357  0.460560  0.576083  1
  H  H103  1  0.710145  0.089546  0.576456  1
  H  H104  1  0.804851  0.596256  0.557487  1
  H  H105  1  0.515669  0.709387  0.583044  1
  H  H106  1  0.426422  0.216870  0.563193  1
  H  H107  1  0.379008  0.843614  0.563282  1
  H  H108  1  0.629846  0.347873  0.551193  1
  H  H109  1  1.013677  -0.041803  0.588989  1
  H  H110  1  0.340357  0.460560  0.576083  1
  H  H111  1  0.210145  0.089546  0.576456  1
  H  H112  1  0.304851  0.596256  0.557487  1
  H  H113  1  0.777970  0.682834  0.626832  1
  H  H114  1  0.916865  0.184490  0.611377  1
  H  H115  1  0.728929  0.821962  0.608527  1
  H  H116  1  0.876336  0.324425  0.595054  1
  H  H117  1  0.464041  0.926529  0.635596  1
  H  H118  1  0.594511  0.435437  0.619885  1
  H  H119  1  0.700800  0.053643  0.623463  1
  H  H120  1  0.558931  0.571942  0.601436  1
  H  H121  1  0.277970  0.682834  0.626832  1
  H  H122  1  0.416865  0.184490  0.611377  1
  H  H123  1  0.228929  0.821962  0.608527  1
  H  H124  1  0.376336  0.324425  0.595054  1
  H  H125  1  0.964041  0.926529  0.635596  1
  H  H126  1  1.094511  0.435437  0.619885  1
  H  H127  1  0.200800  0.053643  0.623463  1
  H  H128  1  1.058931  0.571942  0.601436  1
  H  H129  1  0.535629  0.655143  0.670629  1
  H  H130  1  0.664299  0.162454  0.656565  1
  H  H131  1  0.499477  0.790917  0.652991  1
  H  H132  1  0.631154  0.297444  0.638057  1
  H  H133  1  0.224085  0.901916  0.678749  1
  H  H134  1  0.349915  0.409255  0.663219  1
  H  H135  1  0.448296  0.033504  0.668481  1
  H  H136  1  0.313780  0.545881  0.645239  1
  H  H137  1  1.035629  0.655143  0.670629  1
  H  H138  1  1.164299  0.162454  0.656565  1
  H  H139  1  0.999477  0.790917  0.652991  1
  H  H140  1  1.131154  0.297444  0.638057  1
  H  H141  1  0.724085  0.901916  0.678749  1
  H  H142  1  0.849915  0.409255  0.663219  1
  H  H143  1  0.948296  0.033504  0.668481  1
  H  H144  1  0.813780  0.545881  0.645239  1
  H  H145  1  0.293123  0.628806  0.715475  1
  H  H146  1  0.418781  0.141591  0.702000  1
  H  H147  1  0.257586  0.764271  0.696951  1
  H  H148  1  0.383573  0.274244  0.682169  1
  H  H149  1  0.982291  0.874025  0.722854  1
  H  H150  1  1.105454  0.384260  0.708215  1
  H  H151  1  0.200907  0.008782  0.712940  1
  H  H152  1  1.070432  0.519156  0.689241  1
  H  H153  1  0.793123  0.628806  0.715475  1
  H  H154  1  0.918781  0.141591  0.702000  1
  H  H155  1  0.757586  0.764271  0.696951  1
  H  H156  1  0.883573  0.274244  0.682169  1
  H  H157  1  0.482291  0.874025  0.722854  1
  H  H158  1  0.605454  0.384260  0.708215  1
  H  H159  1  0.700907  0.008782  0.712940  1
  H  H160  1  0.570432  0.519156  0.689241  1
