# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.06917766
_cell_length_b   11.33234052
_cell_length_c   45.80834789
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.13160266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H192
_cell_volume   7505.90727781
_cell_formula_units_Z   96
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  0.430395  0.726217  0.308943  1
  H  H2  1  0.072909  0.638047  0.327462  1
  H  H3  1  0.430395  0.226217  0.308943  1
  H  H4  1  0.787881  0.314387  0.290425  1
  H  H5  1  0.072909  0.138047  0.327462  1
  H  H6  1  0.787881  0.814387  0.290425  1
  H  H7  1  0.272565  0.114164  0.302168  1
  H  H8  1  0.915079  0.025994  0.320686  1
  H  H9  1  0.272565  0.614164  0.302168  1
  H  H10  1  0.630051  0.702334  0.283649  1
  H  H11  1  0.915079  0.525994  0.320686  1
  H  H12  1  0.630051  0.202334  0.283649  1
  H  H13  1  0.287881  0.064387  0.290425  1
  H  H14  1  0.930395  0.976217  0.308943  1
  H  H15  1  0.287881  0.564387  0.290425  1
  H  H16  1  0.572909  0.888047  0.327462  1
  H  H17  1  0.930395  0.476217  0.308943  1
  H  H18  1  0.572909  0.388047  0.327462  1
  H  H19  1  0.415079  0.775994  0.320686  1
  H  H20  1  0.130051  0.452334  0.283649  1
  H  H21  1  0.415079  0.275994  0.320686  1
  H  H22  1  0.772565  0.364164  0.302168  1
  H  H23  1  0.130051  0.952334  0.283649  1
  H  H24  1  0.772565  0.864164  0.302168  1
  H  H25  1  0.357937  0.961706  0.364499  1
  H  H26  1  0.000451  0.873536  0.383017  1
  H  H27  1  0.357937  0.461706  0.364499  1
  H  H28  1  0.715423  0.549876  0.345980  1
  H  H29  1  0.000451  0.373536  0.383017  1
  H  H30  1  0.715423  0.049876  0.345980  1
  H  H31  1  0.200107  0.349653  0.357723  1
  H  H32  1  0.842621  0.261483  0.376242  1
  H  H33  1  0.200107  0.849653  0.357723  1
  H  H34  1  0.557593  0.937824  0.339205  1
  H  H35  1  0.842621  0.761483  0.376242  1
  H  H36  1  0.557593  0.437824  0.339205  1
  H  H37  1  0.215423  0.299876  0.345980  1
  H  H38  1  0.857937  0.211706  0.364499  1
  H  H39  1  0.215423  0.799876  0.345980  1
  H  H40  1  0.500451  0.123536  0.383017  1
  H  H41  1  0.857937  0.711706  0.364499  1
  H  H42  1  0.500451  0.623536  0.383017  1
  H  H43  1  0.342621  0.011483  0.376242  1
  H  H44  1  0.057593  0.687824  0.339205  1
  H  H45  1  0.342621  0.511483  0.376242  1
  H  H46  1  0.700107  0.599653  0.357723  1
  H  H47  1  0.057593  0.187824  0.339205  1
  H  H48  1  0.700107  0.099653  0.357723  1
  H  H49  1  0.285478  0.197195  0.420054  1
  H  H50  1  0.927992  0.109025  0.438573  1
  H  H51  1  0.285478  0.697195  0.420054  1
  H  H52  1  0.642964  0.785366  0.401536  1
  H  H53  1  0.927992  0.609025  0.438573  1
  H  H54  1  0.642964  0.285366  0.401536  1
  H  H55  1  0.127648  0.585143  0.413279  1
  H  H56  1  0.770162  0.496972  0.431797  1
  H  H57  1  0.127648  0.085143  0.413279  1
  H  H58  1  0.485135  0.173313  0.394760  1
  H  H59  1  0.770162  0.996972  0.431797  1
  H  H60  1  0.485135  0.673313  0.394760  1
  H  H61  1  0.142964  0.535366  0.401536  1
  H  H62  1  0.785478  0.447195  0.420054  1
  H  H63  1  0.142964  0.035366  0.401536  1
  H  H64  1  0.427992  0.359025  0.438573  1
  H  H65  1  0.785478  0.947195  0.420054  1
  H  H66  1  0.427992  0.859025  0.438573  1
  H  H67  1  0.270162  0.246972  0.431797  1
  H  H68  1  0.985135  0.923313  0.394760  1
  H  H69  1  0.270162  0.746972  0.431797  1
  H  H70  1  0.627648  0.835143  0.413279  1
  H  H71  1  0.985135  0.423313  0.394760  1
  H  H72  1  0.627648  0.335143  0.413279  1
  H  H73  1  0.213020  0.432684  0.475610  1
  H  H74  1  0.855534  0.344514  0.494128  1
  H  H75  1  0.213020  0.932684  0.475610  1
  H  H76  1  0.570506  0.020855  0.457091  1
  H  H77  1  0.855534  0.844514  0.494128  1
  H  H78  1  0.570506  0.520855  0.457091  1
  H  H79  1  0.055190  0.820632  0.468834  1
  H  H80  1  0.697704  0.732462  0.487353  1
  H  H81  1  0.055190  0.320632  0.468834  1
  H  H82  1  0.412676  0.408802  0.450316  1
  H  H83  1  0.697704  0.232462  0.487353  1
  H  H84  1  0.412676  0.908802  0.450316  1
  H  H85  1  0.070506  0.770855  0.457091  1
  H  H86  1  0.713020  0.682684  0.475610  1
  H  H87  1  0.070506  0.270855  0.457091  1
  H  H88  1  0.355534  0.594514  0.494128  1
  H  H89  1  0.713020  0.182684  0.475610  1
  H  H90  1  0.355534  0.094514  0.494128  1
  H  H91  1  0.197704  0.482462  0.487353  1
  H  H92  1  0.912676  0.158802  0.450316  1
  H  H93  1  0.197704  0.982462  0.487353  1
  H  H94  1  0.555190  0.070632  0.468834  1
  H  H95  1  0.912676  0.658802  0.450316  1
  H  H96  1  0.555190  0.570632  0.468834  1
  H  H97  1  0.140562  0.668174  0.531165  1
  H  H98  1  0.783076  0.580003  0.549684  1
  H  H99  1  0.140562  0.168174  0.531165  1
  H  H100  1  0.498048  0.256344  0.512647  1
  H  H101  1  0.783076  0.080003  0.549684  1
  H  H102  1  0.498048  0.756344  0.512647  1
  H  H103  1  0.982732  0.056121  0.524390  1
  H  H104  1  0.625246  0.967951  0.542909  1
  H  H105  1  0.982732  0.556121  0.524390  1
  H  H106  1  0.340218  0.644291  0.505872  1
  H  H107  1  0.625246  0.467951  0.542909  1
  H  H108  1  0.340218  0.144291  0.505872  1
  H  H109  1  0.998048  0.006344  0.512647  1
  H  H110  1  0.640562  0.918174  0.531165  1
  H  H111  1  0.998048  0.506344  0.512647  1
  H  H112  1  0.283076  0.830003  0.549684  1
  H  H113  1  0.640562  0.418174  0.531165  1
  H  H114  1  0.283076  0.330003  0.549684  1
  H  H115  1  0.125246  0.717951  0.542909  1
  H  H116  1  0.840218  0.394291  0.505872  1
  H  H117  1  0.125246  0.217951  0.542909  1
  H  H118  1  0.482732  0.306121  0.524390  1
  H  H119  1  0.840218  0.894291  0.505872  1
  H  H120  1  0.482732  0.806121  0.524390  1
  H  H121  1  0.068104  0.903663  0.586721  1
  H  H122  1  0.710618  0.815493  0.605239  1
  H  H123  1  0.068104  0.403663  0.586721  1
  H  H124  1  0.425590  0.491833  0.568202  1
  H  H125  1  0.710618  0.315493  0.605239  1
  H  H126  1  0.425590  0.991833  0.568202  1
  H  H127  1  0.910274  0.291610  0.579946  1
  H  H128  1  0.552788  0.203440  0.598464  1
  H  H129  1  0.910274  0.791610  0.579946  1
  H  H130  1  0.267760  0.879780  0.561427  1
  H  H131  1  0.552788  0.703440  0.598464  1
  H  H132  1  0.267760  0.379780  0.561427  1
  H  H133  1  0.925590  0.241833  0.568202  1
  H  H134  1  0.568104  0.153663  0.586721  1
  H  H135  1  0.925590  0.741833  0.568202  1
  H  H136  1  0.210618  0.065493  0.605239  1
  H  H137  1  0.568104  0.653663  0.586721  1
  H  H138  1  0.210618  0.565493  0.605239  1
  H  H139  1  0.052788  0.953440  0.598464  1
  H  H140  1  0.767760  0.629780  0.561427  1
  H  H141  1  0.052788  0.453440  0.598464  1
  H  H142  1  0.410274  0.541610  0.579946  1
  H  H143  1  0.767760  0.129780  0.561427  1
  H  H144  1  0.410274  0.041610  0.579946  1
  H  H145  1  0.995646  0.139152  0.642276  1
  H  H146  1  0.638159  0.050982  0.660795  1
  H  H147  1  0.995646  0.639152  0.642276  1
  H  H148  1  0.353132  0.727322  0.623758  1
  H  H149  1  0.638159  0.550982  0.660795  1
  H  H150  1  0.353132  0.227322  0.623758  1
  H  H151  1  0.837816  0.527099  0.635501  1
  H  H152  1  0.480329  0.438929  0.654020  1
  H  H153  1  0.837816  0.027099  0.635501  1
  H  H154  1  0.195302  0.115270  0.616983  1
  H  H155  1  0.480329  0.938929  0.654020  1
  H  H156  1  0.195302  0.615270  0.616983  1
  H  H157  1  0.853132  0.477322  0.623758  1
  H  H158  1  0.495646  0.389152  0.642276  1
  H  H159  1  0.853132  0.977322  0.623758  1
  H  H160  1  0.138159  0.300982  0.660795  1
  H  H161  1  0.495646  0.889152  0.642276  1
  H  H162  1  0.138159  0.800982  0.660795  1
  H  H163  1  0.980329  0.188929  0.654020  1
  H  H164  1  0.695302  0.865270  0.616983  1
  H  H165  1  0.980329  0.688929  0.654020  1
  H  H166  1  0.337816  0.777099  0.635501  1
  H  H167  1  0.695302  0.365270  0.616983  1
  H  H168  1  0.337816  0.277099  0.635501  1
  H  H169  1  0.923187  0.374641  0.697832  1
  H  H170  1  0.565701  0.286471  0.716351  1
  H  H171  1  0.923187  0.874641  0.697832  1
  H  H172  1  0.280673  0.962812  0.679314  1
  H  H173  1  0.565701  0.786471  0.716351  1
  H  H174  1  0.280673  0.462812  0.679314  1
  H  H175  1  0.765357  0.762589  0.691057  1
  H  H176  1  0.407871  0.674418  0.709575  1
  H  H177  1  0.765357  0.262589  0.691057  1
  H  H178  1  0.122843  0.350759  0.672538  1
  H  H179  1  0.407871  0.174418  0.709575  1
  H  H180  1  0.122843  0.850759  0.672538  1
  H  H181  1  0.780673  0.712812  0.679314  1
  H  H182  1  0.423187  0.624641  0.697832  1
  H  H183  1  0.780673  0.212812  0.679314  1
  H  H184  1  0.065701  0.536471  0.716351  1
  H  H185  1  0.423187  0.124641  0.697832  1
  H  H186  1  0.065701  0.036471  0.716351  1
  H  H187  1  0.907871  0.424418  0.709575  1
  H  H188  1  0.622843  0.100759  0.672538  1
  H  H189  1  0.907871  0.924418  0.709575  1
  H  H190  1  0.265357  0.012589  0.691057  1
  H  H191  1  0.622843  0.600759  0.672538  1
  H  H192  1  0.265357  0.512589  0.691057  1
