# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11384569
_cell_length_b   8.22058224
_cell_length_c   47.91139995
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H156
_cell_volume   3195.71604413
_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  0.940216  0.814688  0.278769  1
  H  H2  1  0.995357  0.364424  0.298988  1
  H  H3  1  0.975431  0.088848  0.289559  1
  H  H4  1  0.520302  0.923997  0.314418  1
  H  H5  1  0.507764  0.645313  0.308043  1
  H  H6  1  0.492274  0.368300  0.298645  1
  H  H7  1  0.763575  0.778633  0.315731  1
  H  H8  1  0.754104  0.508239  0.303045  1
  H  H9  1  0.726732  0.220848  0.293419  1
  H  H10  1  0.219042  0.936898  0.284955  1
  H  H11  1  0.250243  0.499496  0.304557  1
  H  H12  1  0.244751  0.216146  0.295056  1
  H  H13  1  0.011898  0.635262  0.311862  1
  H  H14  1  0.051081  0.174955  0.333478  1
  H  H15  1  0.028678  0.902567  0.323883  1
  H  H16  1  0.590707  0.718647  0.352389  1
  H  H17  1  0.576203  0.449213  0.342234  1
  H  H18  1  0.545937  0.176158  0.331886  1
  H  H19  1  0.834982  0.581868  0.348307  1
  H  H20  1  0.813193  0.311950  0.336973  1
  H  H21  1  0.789050  0.039491  0.327292  1
  H  H22  1  0.267135  0.762731  0.318773  1
  H  H23  1  0.312061  0.309941  0.338992  1
  H  H24  1  0.285648  0.035667  0.329761  1
  H  H25  1  0.074744  0.443764  0.343923  1
  H  H26  1  0.112499  0.978786  0.367086  1
  H  H27  1  0.096351  0.710361  0.356187  1
  H  H28  1  0.668220  0.525216  0.386177  1
  H  H29  1  0.639447  0.251005  0.375143  1
  H  H30  1  0.609949  0.979733  0.363891  1
  H  H31  1  0.901999  0.385636  0.381209  1
  H  H32  1  0.873646  0.113896  0.370727  1
  H  H33  1  0.852826  0.845066  0.360625  1
  H  H34  1  0.336760  0.575147  0.349750  1
  H  H35  1  0.375458  0.116183  0.372181  1
  H  H36  1  0.355236  0.846268  0.361087  1
  H  H37  1  0.137792  0.249064  0.376915  1
  H  H38  1  0.183934  0.788859  0.399862  1
  H  H39  1  0.169218  0.518522  0.388103  1
  H  H40  1  0.656406  0.331806  0.420669  1
  H  H41  1  0.677813  0.060853  0.409455  1
  H  H42  1  0.680886  0.792391  0.398274  1
  H  H43  1  0.920326  0.194101  0.415663  1
  H  H44  1  0.932383  0.924099  0.404946  1
  H  H45  1  0.927755  0.655002  0.393460  1
  H  H46  1  0.407925  0.385704  0.382396  1
  H  H47  1  0.433126  0.925126  0.405117  1
  H  H48  1  0.429547  0.656504  0.393327  1
  H  H49  1  0.178789  0.058536  0.410988  1
  H  H50  1  0.129183  0.600124  0.433068  1
  H  H51  1  0.157308  0.328924  0.422024  1
  H  H52  1  0.590185  0.137266  0.454370  1
  H  H53  1  0.609938  0.869076  0.443362  1
  H  H54  1  0.630134  0.600864  0.432143  1
  H  H55  1  0.849164  0.003013  0.448913  1
  H  H56  1  0.868755  0.734346  0.438146  1
  H  H57  1  0.893581  0.464020  0.426878  1
  H  H58  1  0.418916  0.195581  0.416721  1
  H  H59  1  0.368813  0.735534  0.438432  1
  H  H60  1  0.391302  0.467372  0.427488  1
  H  H61  1  0.109006  0.868866  0.444003  1
  H  H62  1  0.067289  0.406279  0.465751  1
  H  H63  1  0.088894  0.136941  0.454851  1
  H  H64  1  0.525744  0.944002  0.487461  1
  H  H65  1  0.546463  0.675069  0.476456  1
  H  H66  1  0.567814  0.406125  0.465328  1
  H  H67  1  0.786010  0.809424  0.481899  1
  H  H68  1  0.806955  0.540485  0.470931  1
  H  H69  1  0.828426  0.271646  0.459777  1
  H  H70  1  0.349640  0.003025  0.449511  1
  H  H71  1  0.306519  0.541345  0.471391  1
  H  H72  1  0.328044  0.272262  0.460485  1
  H  H73  1  0.046365  0.675472  0.476755  1
  H  H74  1  0.243369  0.347523  0.504246  1
  H  H75  1  0.025471  0.944190  0.487587  1
  H  H76  1  0.722602  0.615560  0.514698  1
  H  H77  1  0.743892  0.346817  0.503713  1
  H  H78  1  0.765321  0.078132  0.492739  1
  H  H79  1  0.962325  0.750183  0.520230  1
  H  H80  1  0.983219  0.481465  0.509398  1
  H  H81  1  1.004345  0.212827  0.498492  1
  H  H82  1  0.286088  0.810095  0.482287  1
  H  H83  1  0.504345  0.212827  0.498492  1
  H  H84  1  0.264798  0.078838  0.493272  1
  H  H85  1  0.222680  0.616231  0.515086  1
  H  H86  1  0.180264  0.154008  0.537208  1
  H  H87  1  0.201736  0.885170  0.526054  1
  H  H88  1  0.659050  0.422630  0.547474  1
  H  H89  1  0.680646  0.153392  0.536499  1
  H  H90  1  0.702171  0.884310  0.525593  1
  H  H91  1  0.899684  0.556789  0.552981  1
  H  H92  1  0.919796  0.288714  0.542134  1
  H  H93  1  0.941401  0.019376  0.531233  1
  H  H94  1  0.482946  0.481653  0.509524  1
  H  H95  1  0.440876  0.019530  0.531657  1
  H  H96  1  0.462227  0.750586  0.520529  1
  H  H97  1  0.159526  0.422642  0.548071  1
  H  H98  1  0.115109  0.961635  0.570107  1
  H  H99  1  0.139935  0.691309  0.558838  1
  H  H100  1  0.589774  0.230074  0.580264  1
  H  H101  1  0.617388  0.958283  0.569497  1
  H  H102  1  0.639877  0.690121  0.558553  1
  H  H103  1  0.829901  0.367119  0.585997  1
  H  H104  1  0.851382  0.096731  0.574961  1
  H  H105  1  0.879507  0.825531  0.563917  1
  H  H106  1  0.418505  0.288389  0.542614  1
  H  H107  1  0.378556  0.824791  0.564841  1
  H  H108  1  0.398752  0.556579  0.553623  1
  H  H109  1  0.088364  0.231554  0.581322  1
  H  H110  1  0.080935  0.770653  0.603525  1
  H  H111  1  0.076307  0.501556  0.592039  1
  H  H112  1  0.600765  0.039951  0.614588  1
  H  H113  1  0.579143  0.769151  0.603657  1
  H  H114  1  0.575564  0.500529  0.591867  1
  H  H115  1  0.870898  0.176591  0.620070  1
  H  H116  1  0.839472  0.907133  0.608882  1
  H  H117  1  0.824756  0.636796  0.597123  1
  H  H118  1  0.352284  0.093849  0.576315  1
  H  H119  1  0.327804  0.633264  0.598711  1
  H  H120  1  0.330877  0.364802  0.587530  1
  H  H121  1  0.106691  0.040019  0.615775  1
  H  H122  1  0.155864  0.580589  0.636359  1
  H  H123  1  0.135044  0.311759  0.626257  1
  H  H124  1  0.671930  0.850508  0.647234  1
  H  H125  1  0.653454  0.579386  0.635898  1
  H  H126  1  0.633232  0.309472  0.624803  1
  H  H127  1  0.933946  0.981891  0.653062  1
  H  H128  1  0.912339  0.715294  0.640797  1
  H  H129  1  0.896191  0.446869  0.629898  1
  H  H130  1  0.340470  0.900438  0.610808  1
  H  H131  1  0.398741  0.445922  0.633093  1
  H  H132  1  0.369243  0.174650  0.621841  1
  H  H133  1  0.173708  0.843787  0.648677  1
  H  H134  1  0.219640  0.386164  0.669692  1
  H  H135  1  0.195497  0.113705  0.660012  1
  H  H136  1  0.741555  0.662924  0.678212  1
  H  H137  1  0.723042  0.389987  0.667223  1
  H  H138  1  0.696629  0.115713  0.657992  1
  H  H139  1  0.996792  0.790393  0.685123  1
  H  H140  1  0.980012  0.523088  0.673101  1
  H  H141  1  0.957609  0.250700  0.663506  1
  H  H142  1  0.417983  0.707008  0.644596  1
  H  H143  1  0.462753  0.249497  0.665099  1
  H  H144  1  0.432487  0.976442  0.654750  1
  H  H145  1  0.245115  0.647022  0.681253  1
  H  H146  1  0.281958  0.204807  0.703565  1
  H  H147  1  0.254586  0.917416  0.693939  1
  H  H148  1  0.789648  0.488757  0.712030  1
  H  H149  1  0.763939  0.209509  0.701928  1
  H  H150  1  0.758447  0.926159  0.692427  1
  H  H151  1  0.068474  0.610967  0.718215  1
  H  H152  1  0.033259  0.336807  0.707426  1
  H  H153  1  0.013333  0.061230  0.697996  1
  H  H154  1  0.488388  0.501658  0.682567  1
  H  H155  1  0.516416  0.057355  0.698339  1
  H  H156  1  0.500926  0.780342  0.688942  1
