# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03155218
_cell_length_b   11.71122299
_cell_length_c   50.35369351
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.11712631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3554.39851829
_cell_formula_units_Z   90
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  0.695775  0.356735  0.278835  1
  H  H2  1  0.652988  0.043287  0.263777  1
  H  H3  1  0.723521  0.675246  0.296104  1
  H  H4  1  0.029108  0.023402  0.278835  1
  H  H5  1  0.986321  0.709954  0.263777  1
  H  H6  1  0.362441  0.690068  0.278835  1
  H  H7  1  0.056854  0.341912  0.296104  1
  H  H8  1  0.319654  0.376620  0.263777  1
  H  H9  1  0.390188  0.008579  0.296104  1
  H  H10  1  0.635860  0.177156  0.296986  1
  H  H11  1  0.623343  0.852254  0.279244  1
  H  H12  1  0.587319  0.541419  0.265160  1
  H  H13  1  0.969193  0.843823  0.296986  1
  H  H14  1  0.956676  0.518921  0.279244  1
  H  H15  1  0.302527  0.510490  0.296986  1
  H  H16  1  0.920652  0.208086  0.265160  1
  H  H17  1  0.290010  0.185587  0.279244  1
  H  H18  1  0.253986  0.874753  0.265160  1
  H  H19  1  0.770297  0.316939  0.325833  1
  H  H20  1  0.748002  0.996649  0.310285  1
  H  H21  1  0.791601  0.637288  0.341011  1
  H  H22  1  0.103630  0.983606  0.325833  1
  H  H23  1  0.081335  0.663316  0.310285  1
  H  H24  1  0.436964  0.650272  0.325833  1
  H  H25  1  0.124935  0.303955  0.341011  1
  H  H26  1  0.414669  0.329983  0.310285  1
  H  H27  1  0.458268  0.970621  0.341011  1
  H  H28  1  0.692711  0.136190  0.341663  1
  H  H29  1  0.672810  0.817061  0.326470  1
  H  H30  1  0.656971  0.494492  0.311170  1
  H  H31  1  0.026045  0.802857  0.341663  1
  H  H32  1  0.006144  0.483727  0.326470  1
  H  H33  1  0.359378  0.469524  0.341663  1
  H  H34  1  0.990304  0.161159  0.311170  1
  H  H35  1  0.339477  0.150394  0.326470  1
  H  H36  1  0.323638  0.827825  0.311170  1
  H  H37  1  0.831801  0.278026  0.371227  1
  H  H38  1  0.812164  0.957575  0.355988  1
  H  H39  1  0.851706  0.598435  0.386352  1
  H  H40  1  0.165134  0.944693  0.371227  1
  H  H41  1  0.145498  0.624241  0.355988  1
  H  H42  1  0.498467  0.611359  0.371227  1
  H  H43  1  0.185040  0.265101  0.386352  1
  H  H44  1  0.478831  0.290908  0.355988  1
  H  H45  1  0.518373  0.931768  0.386352  1
  H  H46  1  0.750223  0.097790  0.386834  1
  H  H47  1  0.730553  0.777624  0.371712  1
  H  H48  1  0.711388  0.457206  0.356633  1
  H  H49  1  0.083557  0.764457  0.386834  1
  H  H50  1  0.063886  0.444290  0.371712  1
  H  H51  1  0.416890  0.431124  0.386834  1
  H  H52  1  0.044721  0.123873  0.356633  1
  H  H53  1  0.397220  0.110957  0.371712  1
  H  H54  1  0.378054  0.790540  0.356633  1
  H  H55  1  0.890994  0.239092  0.416610  1
  H  H56  1  0.871351  0.918723  0.401463  1
  H  H57  1  0.910679  0.559469  0.431739  1
  H  H58  1  0.224327  0.905758  0.416610  1
  H  H59  1  0.204685  0.585390  0.401463  1
  H  H60  1  0.557661  0.572425  0.416610  1
  H  H61  1  0.244013  0.226136  0.431739  1
  H  H62  1  0.538018  0.252056  0.401463  1
  H  H63  1  0.577346  0.892802  0.431739  1
  H  H64  1  0.809202  0.059000  0.432182  1
  H  H65  1  0.789488  0.738664  0.417058  1
  H  H66  1  0.769853  0.418304  0.401938  1
  H  H67  1  0.142536  0.725667  0.432182  1
  H  H68  1  0.122821  0.405331  0.417058  1
  H  H69  1  0.475869  0.392334  0.432182  1
  H  H70  1  0.103187  0.084971  0.401938  1
  H  H71  1  0.456154  0.071997  0.417058  1
  H  H72  1  0.436520  0.751638  0.401938  1
  H  H73  1  0.950011  0.200182  0.461996  1
  H  H74  1  0.930345  0.879819  0.446865  1
  H  H75  1  0.969683  0.520547  0.477124  1
  H  H76  1  0.283344  0.866848  0.461996  1
  H  H77  1  0.263678  0.546485  0.446865  1
  H  H78  1  0.616677  0.533515  0.461996  1
  H  H79  1  0.303017  0.187214  0.477124  1
  H  H80  1  0.597011  0.213152  0.446865  1
  H  H81  1  0.636350  0.853881  0.477124  1
  H  H82  1  0.868225  0.020109  0.477559  1
  H  H83  1  0.848548  0.699750  0.462432  1
  H  H84  1  0.828877  0.379384  0.447306  1
  H  H85  1  0.201558  0.686776  0.477559  1
  H  H86  1  0.181882  0.366417  0.462432  1
  H  H87  1  0.534891  0.353443  0.477559  1
  H  H88  1  0.162210  0.046051  0.447306  1
  H  H89  1  0.515215  0.033084  0.462432  1
  H  H90  1  0.495544  0.712717  0.447306  1
  H  H91  1  0.009030  0.161272  0.507378  1
  H  H92  1  0.989353  0.840913  0.492251  1
  H  H93  1  0.028701  0.481638  0.522504  1
  H  H94  1  0.342363  0.827938  0.507378  1
  H  H95  1  0.322687  0.507579  0.492251  1
  H  H96  1  0.675696  0.494605  0.507378  1
  H  H97  1  0.362034  0.148305  0.522504  1
  H  H98  1  0.656020  0.174246  0.492251  1
  H  H99  1  0.695368  0.814971  0.522504  1
  H  H100  1  0.927234  0.981203  0.522945  1
  H  H101  1  0.907567  0.660840  0.507814  1
  H  H102  1  0.887895  0.340474  0.492686  1
  H  H103  1  0.260567  0.647870  0.522945  1
  H  H104  1  0.240901  0.327507  0.507814  1
  H  H105  1  0.593900  0.314537  0.522945  1
  H  H106  1  0.221228  0.007141  0.492686  1
  H  H107  1  0.574234  0.994174  0.507814  1
  H  H108  1  0.554561  0.673808  0.492686  1
  H  H109  1  0.068090  0.122358  0.552752  1
  H  H110  1  0.048376  0.802022  0.537628  1
  H  H111  1  0.087725  0.442718  0.567871  1
  H  H112  1  0.401424  0.789025  0.552752  1
  H  H113  1  0.381709  0.468688  0.537628  1
  H  H114  1  0.734757  0.455691  0.552752  1
  H  H115  1  0.421058  0.109384  0.567871  1
  H  H116  1  0.715042  0.135355  0.537628  1
  H  H117  1  0.754391  0.776051  0.567871  1
  H  H118  1  0.986227  0.942299  0.568347  1
  H  H119  1  0.966584  0.621930  0.553200  1
  H  H120  1  0.946899  0.301553  0.538071  1
  H  H121  1  0.319560  0.608966  0.568347  1
  H  H122  1  0.299917  0.288597  0.553200  1
  H  H123  1  0.652893  0.275632  0.568347  1
  H  H124  1  0.280232  0.968220  0.538071  1
  H  H125  1  0.633251  0.955264  0.553200  1
  H  H126  1  0.613565  0.634886  0.538071  1
  H  H127  1  0.127025  0.083398  0.598098  1
  H  H128  1  0.107355  0.763232  0.582976  1
  H  H129  1  0.146190  0.403816  0.613177  1
  H  H130  1  0.460358  0.750065  0.598098  1
  H  H131  1  0.440688  0.429898  0.582976  1
  H  H132  1  0.793692  0.416732  0.598098  1
  H  H133  1  0.479524  0.070482  0.613177  1
  H  H134  1  0.774021  0.096565  0.582976  1
  H  H135  1  0.812857  0.737149  0.613177  1
  H  H136  1  0.045414  0.903447  0.613822  1
  H  H137  1  0.025777  0.582996  0.598583  1
  H  H138  1  0.005872  0.262587  0.583458  1
  H  H139  1  0.378747  0.570114  0.613822  1
  H  H140  1  0.359111  0.249663  0.598583  1
  H  H141  1  0.712080  0.236781  0.613822  1
  H  H142  1  0.339205  0.929254  0.583458  1
  H  H143  1  0.692444  0.916329  0.598583  1
  H  H144  1  0.672538  0.595921  0.583458  1
  H  H145  1  0.184768  0.043961  0.643340  1
  H  H146  1  0.164867  0.724832  0.628147  1
  H  H147  1  0.200607  0.366530  0.658639  1
  H  H148  1  0.518101  0.710628  0.643340  1
  H  H149  1  0.498200  0.391498  0.628147  1
  H  H150  1  0.851434  0.377294  0.643340  1
  H  H151  1  0.533940  0.033197  0.658639  1
  H  H152  1  0.831533  0.058165  0.628147  1
  H  H153  1  0.867274  0.699863  0.658639  1
  H  H154  1  0.109576  0.864373  0.659525  1
  H  H155  1  0.087281  0.544083  0.643977  1
  H  H156  1  0.065977  0.223734  0.628799  1
  H  H157  1  0.442909  0.531039  0.659525  1
  H  H158  1  0.420615  0.210750  0.643977  1
  H  H159  1  0.776243  0.197706  0.659525  1
  H  H160  1  0.399310  0.890401  0.628799  1
  H  H161  1  0.753948  0.877416  0.643977  1
  H  H162  1  0.732643  0.557067  0.628799  1
  H  H163  1  0.234235  0.008768  0.690566  1
  H  H164  1  0.221718  0.683866  0.672824  1
  H  H165  1  0.270259  0.319603  0.704650  1
  H  H166  1  0.567568  0.675435  0.690566  1
  H  H167  1  0.555051  0.350532  0.672824  1
  H  H168  1  0.900902  0.342101  0.690566  1
  H  H169  1  0.603592  0.986269  0.704650  1
  H  H170  1  0.888385  0.017199  0.672824  1
  H  H171  1  0.936926  0.652936  0.704650  1
  H  H172  1  0.204590  0.817735  0.706033  1
  H  H173  1  0.161804  0.504287  0.690975  1
  H  H174  1  0.134057  0.185776  0.673706  1
  H  H175  1  0.537924  0.484402  0.706033  1
  H  H176  1  0.495137  0.170954  0.690975  1
  H  H177  1  0.871257  0.151068  0.706033  1
  H  H178  1  0.467390  0.852443  0.673706  1
  H  H179  1  0.828470  0.837620  0.690975  1
  H  H180  1  0.800724  0.519110  0.673706  1
