# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.38029242
_cell_length_b   9.79924284
_cell_length_c   50.05894389
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.24852095
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H336
_cell_volume   6821.59724184
_cell_formula_units_Z   168
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  0.847939  0.350233  0.258125  1
  H  H2  1  0.514606  0.350233  0.258125  1
  H  H3  1  0.677845  0.419880  0.247188  1
  H  H4  1  0.181273  0.350233  0.258125  1
  H  H5  1  0.344512  0.419880  0.247188  1
  H  H6  1  0.681273  0.850233  0.258125  1
  H  H7  1  0.844512  0.919880  0.247188  1
  H  H8  1  1.011179  0.419880  0.247188  1
  H  H9  1  0.347939  0.850233  0.258125  1
  H  H10  1  0.511179  0.919880  0.247188  1
  H  H11  1  1.014606  0.850233  0.258125  1
  H  H12  1  0.177845  0.919880  0.247188  1
  H  H13  1  0.761179  0.169880  0.247188  1
  H  H14  1  0.427845  0.169880  0.247188  1
  H  H15  1  0.597939  0.100233  0.258125  1
  H  H16  1  1.094512  0.169880  0.247188  1
  H  H17  1  0.264606  0.100233  0.258125  1
  H  H18  1  0.594512  0.669880  0.247188  1
  H  H19  1  0.764606  0.600233  0.258125  1
  H  H20  1  0.931273  0.100233  0.258125  1
  H  H21  1  0.261179  0.669880  0.247188  1
  H  H22  1  0.431273  0.600233  0.258125  1
  H  H23  1  0.927845  0.669880  0.247188  1
  H  H24  1  1.097939  0.600233  0.258125  1
  H  H25  1  0.819331  0.196566  0.291734  1
  H  H26  1  0.485998  0.196566  0.291734  1
  H  H27  1  0.657355  0.268828  0.281147  1
  H  H28  1  0.152664  0.196566  0.291734  1
  H  H29  1  0.324022  0.268828  0.281147  1
  H  H30  1  0.652664  0.696566  0.291734  1
  H  H31  1  0.824022  0.768828  0.281147  1
  H  H32  1  0.990689  0.268828  0.281147  1
  H  H33  1  0.319331  0.696566  0.291734  1
  H  H34  1  0.490689  0.768828  0.281147  1
  H  H35  1  0.985998  0.696566  0.291734  1
  H  H36  1  0.157355  0.768828  0.281147  1
  H  H37  1  0.740689  0.018828  0.281147  1
  H  H38  1  0.407355  0.018828  0.281147  1
  H  H39  1  0.569331  0.946566  0.291734  1
  H  H40  1  1.074022  0.018828  0.281147  1
  H  H41  1  0.235998  0.946566  0.291734  1
  H  H42  1  0.574022  0.518828  0.281147  1
  H  H43  1  0.735998  0.446566  0.291734  1
  H  H44  1  0.902664  0.946566  0.291734  1
  H  H45  1  0.240689  0.518828  0.281147  1
  H  H46  1  0.402664  0.446566  0.291734  1
  H  H47  1  0.907355  0.518828  0.281147  1
  H  H48  1  1.069331  0.446566  0.291734  1
  H  H49  1  0.790470  0.042920  0.324871  1
  H  H50  1  0.457136  0.042920  0.324871  1
  H  H51  1  0.630175  0.115657  0.312402  1
  H  H52  1  1.123803  0.042920  0.324871  1
  H  H53  1  0.296842  0.115657  0.312402  1
  H  H54  1  0.623803  0.542920  0.324871  1
  H  H55  1  0.796842  0.615657  0.312402  1
  H  H56  1  0.963509  0.115657  0.312402  1
  H  H57  1  0.290470  0.542920  0.324871  1
  H  H58  1  0.463509  0.615657  0.312402  1
  H  H59  1  0.957136  0.542920  0.324871  1
  H  H60  1  0.130175  0.615657  0.312402  1
  H  H61  1  0.713509  0.865657  0.312402  1
  H  H62  1  0.380175  0.865657  0.312402  1
  H  H63  1  0.540470  0.792920  0.324871  1
  H  H64  1  1.046842  0.865657  0.312402  1
  H  H65  1  0.207136  0.792920  0.324871  1
  H  H66  1  0.546842  0.365657  0.312402  1
  H  H67  1  0.707136  0.292920  0.324871  1
  H  H68  1  0.873803  0.792920  0.324871  1
  H  H69  1  0.213509  0.365657  0.312402  1
  H  H70  1  0.373803  0.292920  0.324871  1
  H  H71  1  0.880175  0.365657  0.312402  1
  H  H72  1  1.040470  0.292920  0.324871  1
  H  H73  1  0.761248  0.888519  0.357332  1
  H  H74  1  0.427915  0.888519  0.357332  1
  H  H75  1  0.603284  0.962599  0.344126  1
  H  H76  1  1.094581  0.888519  0.357332  1
  H  H77  1  0.269951  0.962599  0.344126  1
  H  H78  1  0.594581  0.388519  0.357332  1
  H  H79  1  0.769951  0.462599  0.344126  1
  H  H80  1  0.936618  0.962599  0.344126  1
  H  H81  1  0.261248  0.388519  0.357332  1
  H  H82  1  0.436618  0.462599  0.344126  1
  H  H83  1  0.927915  0.388519  0.357332  1
  H  H84  1  1.103284  0.462599  0.344126  1
  H  H85  1  0.686618  0.712599  0.344126  1
  H  H86  1  0.353284  0.712599  0.344126  1
  H  H87  1  0.511248  0.638519  0.357332  1
  H  H88  1  1.019951  0.712599  0.344126  1
  H  H89  1  0.177915  0.638519  0.357332  1
  H  H90  1  0.519951  0.212599  0.344126  1
  H  H91  1  0.677915  0.138519  0.357332  1
  H  H92  1  0.844581  0.638519  0.357332  1
  H  H93  1  0.186618  0.212599  0.344126  1
  H  H94  1  0.344581  0.138519  0.357332  1
  H  H95  1  0.853284  0.212599  0.344126  1
  H  H96  1  1.011248  0.138519  0.357332  1
  H  H97  1  0.732666  0.734063  0.389860  1
  H  H98  1  0.399333  0.734063  0.389860  1
  H  H99  1  0.575746  0.808930  0.375978  1
  H  H100  1  1.066000  0.734063  0.389860  1
  H  H101  1  0.242413  0.808930  0.375978  1
  H  H102  1  0.566000  0.234063  0.389860  1
  H  H103  1  0.742413  0.308930  0.375978  1
  H  H104  1  0.909079  0.808930  0.375978  1
  H  H105  1  0.232666  0.234063  0.389860  1
  H  H106  1  0.409079  0.308930  0.375978  1
  H  H107  1  0.899333  0.234063  0.389860  1
  H  H108  1  1.075746  0.308930  0.375978  1
  H  H109  1  0.659079  0.558930  0.375978  1
  H  H110  1  0.325746  0.558930  0.375978  1
  H  H111  1  0.482666  0.484063  0.389860  1
  H  H112  1  0.992413  0.558930  0.375978  1
  H  H113  1  0.149333  0.484063  0.389860  1
  H  H114  1  0.492413  0.058930  0.375978  1
  H  H115  1  0.649333  -0.015937  0.389860  1
  H  H116  1  0.816000  0.484063  0.389860  1
  H  H117  1  0.159079  0.058930  0.375978  1
  H  H118  1  0.316000  -0.015937  0.389860  1
  H  H119  1  0.825746  0.058930  0.375978  1
  H  H120  1  0.982666  -0.015937  0.389860  1
  H  H121  1  0.704290  0.579515  0.422250  1
  H  H122  1  0.370956  0.579515  0.422250  1
  H  H123  1  0.548170  0.654952  0.407931  1
  H  H124  1  1.037623  0.579515  0.422250  1
  H  H125  1  0.214836  0.654952  0.407931  1
  H  H126  1  0.537623  0.079515  0.422250  1
  H  H127  1  0.714836  0.154952  0.407931  1
  H  H128  1  0.881503  0.654952  0.407931  1
  H  H129  1  0.204290  0.079515  0.422250  1
  H  H130  1  0.381503  0.154952  0.407931  1
  H  H131  1  0.870956  0.079515  0.422250  1
  H  H132  1  1.048170  0.154952  0.407931  1
  H  H133  1  0.631503  0.404952  0.407931  1
  H  H134  1  0.298170  0.404952  0.407931  1
  H  H135  1  0.454290  0.329515  0.422250  1
  H  H136  1  0.964836  0.404952  0.407931  1
  H  H137  1  1.120956  0.329515  0.422250  1
  H  H138  1  0.464836  0.904952  0.407931  1
  H  H139  1  0.620956  0.829515  0.422250  1
  H  H140  1  0.787623  0.329515  0.422250  1
  H  H141  1  0.131503  0.904952  0.407931  1
  H  H142  1  0.287623  0.829515  0.422250  1
  H  H143  1  0.798170  0.904952  0.407931  1
  H  H144  1  0.954290  0.829515  0.422250  1
  H  H145  1  0.676050  0.425062  0.454490  1
  H  H146  1  0.342717  0.425062  0.454490  1
  H  H147  1  0.520365  0.500742  0.439973  1
  H  H148  1  1.009384  0.425062  0.454490  1
  H  H149  1  0.187032  0.500742  0.439973  1
  H  H150  1  0.509384  0.925062  0.454490  1
  H  H151  1  0.687032  0.000742  0.439973  1
  H  H152  1  0.853699  0.500742  0.439973  1
  H  H153  1  0.176050  0.925062  0.454490  1
  H  H154  1  0.353699  0.000742  0.439973  1
  H  H155  1  0.842717  0.925062  0.454490  1
  H  H156  1  1.020365  0.000742  0.439973  1
  H  H157  1  0.603699  0.250742  0.439973  1
  H  H158  1  0.270365  0.250742  0.439973  1
  H  H159  1  0.426050  0.175062  0.454490  1
  H  H160  1  0.937032  0.250742  0.439973  1
  H  H161  1  1.092717  0.175062  0.454490  1
  H  H162  1  0.437032  0.750742  0.439973  1
  H  H163  1  0.592717  0.675062  0.454490  1
  H  H164  1  0.759384  0.175062  0.454490  1
  H  H165  1  1.103699  0.750742  0.439973  1
  H  H166  1  0.259384  0.675062  0.454490  1
  H  H167  1  0.770365  0.750742  0.439973  1
  H  H168  1  0.926050  0.675062  0.454490  1
  H  H169  1  0.648004  0.270713  0.486622  1
  H  H170  1  0.314670  0.270713  0.486622  1
  H  H171  1  0.492319  0.346392  0.472105  1
  H  H172  1  0.981337  0.270713  0.486622  1
  H  H173  1  0.158985  0.346392  0.472105  1
  H  H174  1  0.481337  0.770713  0.486622  1
  H  H175  1  0.658985  0.846392  0.472105  1
  H  H176  1  0.825652  0.346392  0.472105  1
  H  H177  1  0.148004  0.770713  0.486622  1
  H  H178  1  0.325652  0.846392  0.472105  1
  H  H179  1  0.814670  0.770713  0.486622  1
  H  H180  1  0.992319  0.846392  0.472105  1
  H  H181  1  0.575652  0.096392  0.472105  1
  H  H182  1  0.242319  0.096392  0.472105  1
  H  H183  1  0.398004  0.020713  0.486622  1
  H  H184  1  0.908985  0.096392  0.472105  1
  H  H185  1  1.064670  0.020713  0.486622  1
  H  H186  1  0.408985  0.596392  0.472105  1
  H  H187  1  0.564670  0.520713  0.486622  1
  H  H188  1  0.731337  0.020713  0.486622  1
  H  H189  1  1.075652  0.596392  0.472105  1
  H  H190  1  0.231337  0.520713  0.486622  1
  H  H191  1  0.742319  0.596392  0.472105  1
  H  H192  1  0.898004  0.520713  0.486622  1
  H  H193  1  0.620200  0.116502  0.518664  1
  H  H194  1  0.286866  0.116502  0.518664  1
  H  H195  1  0.464080  0.191940  0.504345  1
  H  H196  1  0.953533  0.116502  0.518664  1
  H  H197  1  0.130746  0.191940  0.504345  1
  H  H198  1  0.453533  0.616502  0.518664  1
  H  H199  1  0.630746  0.691940  0.504345  1
  H  H200  1  0.797413  0.191940  0.504345  1
  H  H201  1  1.120200  0.616502  0.518664  1
  H  H202  1  0.297413  0.691940  0.504345  1
  H  H203  1  0.786866  0.616502  0.518664  1
  H  H204  1  0.964080  0.691940  0.504345  1
  H  H205  1  0.547413  0.941940  0.504345  1
  H  H206  1  0.214080  0.941940  0.504345  1
  H  H207  1  0.370200  0.866502  0.518664  1
  H  H208  1  0.880746  0.941940  0.504345  1
  H  H209  1  1.036866  0.866502  0.518664  1
  H  H210  1  0.380746  0.441940  0.504345  1
  H  H211  1  0.536866  0.366502  0.518664  1
  H  H212  1  0.703533  0.866502  0.518664  1
  H  H213  1  1.047413  0.441940  0.504345  1
  H  H214  1  0.203533  0.366502  0.518664  1
  H  H215  1  0.714080  0.441940  0.504345  1
  H  H216  1  0.870200  0.366502  0.518664  1
  H  H217  1  0.592623  0.962524  0.550617  1
  H  H218  1  0.259290  0.962524  0.550617  1
  H  H219  1  0.435703  0.037392  0.536734  1
  H  H220  1  0.925956  0.962524  0.550617  1
  H  H221  1  1.102370  0.037392  0.536734  1
  H  H222  1  0.425956  0.462524  0.550617  1
  H  H223  1  0.602370  0.537392  0.536734  1
  H  H224  1  0.769036  0.037392  0.536734  1
  H  H225  1  1.092623  0.462524  0.550617  1
  H  H226  1  0.269036  0.537392  0.536734  1
  H  H227  1  0.759290  0.462524  0.550617  1
  H  H228  1  0.935703  0.537392  0.536734  1
  H  H229  1  0.519036  0.787392  0.536734  1
  H  H230  1  0.185703  0.787392  0.536734  1
  H  H231  1  0.342623  0.712524  0.550617  1
  H  H232  1  0.852370  0.787392  0.536734  1
  H  H233  1  1.009290  0.712524  0.550617  1
  H  H234  1  0.352370  0.287392  0.536734  1
  H  H235  1  0.509290  0.212524  0.550617  1
  H  H236  1  0.675956  0.712524  0.550617  1
  H  H237  1  1.019036  0.287392  0.536734  1
  H  H238  1  0.175956  0.212524  0.550617  1
  H  H239  1  0.685703  0.287392  0.536734  1
  H  H240  1  0.842623  0.212524  0.550617  1
  H  H241  1  0.565085  0.808856  0.582469  1
  H  H242  1  0.231752  0.808856  0.582469  1
  H  H243  1  0.407121  0.882936  0.569263  1
  H  H244  1  0.898418  0.808856  0.582469  1
  H  H245  1  1.073788  0.882936  0.569263  1
  H  H246  1  0.398418  0.308856  0.582469  1
  H  H247  1  0.573788  0.382936  0.569263  1
  H  H248  1  0.740454  0.882936  0.569263  1
  H  H249  1  1.065085  0.308856  0.582469  1
  H  H250  1  0.240454  0.382936  0.569263  1
  H  H251  1  0.731752  0.308856  0.582469  1
  H  H252  1  0.907121  0.382936  0.569263  1
  H  H253  1  0.490454  0.632936  0.569263  1
  H  H254  1  0.157121  0.632936  0.569263  1
  H  H255  1  0.315085  0.558856  0.582469  1
  H  H256  1  0.823788  0.632936  0.569263  1
  H  H257  1  0.981752  0.558856  0.582469  1
  H  H258  1  0.323788  0.132936  0.569263  1
  H  H259  1  0.481752  0.058856  0.582469  1
  H  H260  1  0.648418  0.558856  0.582469  1
  H  H261  1  0.990454  0.132936  0.569263  1
  H  H262  1  0.148418  0.058856  0.582469  1
  H  H263  1  0.657121  0.132936  0.569263  1
  H  H264  1  0.815085  0.058856  0.582469  1
  H  H265  1  0.538194  0.655797  0.614193  1
  H  H266  1  0.204860  0.655797  0.614193  1
  H  H267  1  0.377900  0.728534  0.601724  1
  H  H268  1  0.871527  0.655797  0.614193  1
  H  H269  1  1.044566  0.728534  0.601724  1
  H  H270  1  0.371527  0.155797  0.614193  1
  H  H271  1  0.544566  0.228534  0.601724  1
  H  H272  1  0.711233  0.728534  0.601724  1
  H  H273  1  1.038194  0.155797  0.614193  1
  H  H274  1  0.211233  0.228534  0.601724  1
  H  H275  1  0.704860  0.155797  0.614193  1
  H  H276  1  0.877900  0.228534  0.601724  1
  H  H277  1  0.461233  0.478534  0.601724  1
  H  H278  1  0.127900  0.478534  0.601724  1
  H  H279  1  0.288194  0.405797  0.614193  1
  H  H280  1  0.794566  0.478534  0.601724  1
  H  H281  1  0.954860  0.405797  0.614193  1
  H  H282  1  0.294566  -0.021466  0.601724  1
  H  H283  1  0.454860  0.905797  0.614193  1
  H  H284  1  0.621527  0.405797  0.614193  1
  H  H285  1  0.961233  -0.021466  0.601724  1
  H  H286  1  1.121527  0.905797  0.614193  1
  H  H287  1  0.627900  -0.021466  0.601724  1
  H  H288  1  0.788194  0.905797  0.614193  1
  H  H289  1  0.511014  0.502627  0.645448  1
  H  H290  1  0.177680  0.502627  0.645448  1
  H  H291  1  0.349038  0.574889  0.634861  1
  H  H292  1  0.844347  0.502627  0.645448  1
  H  H293  1  1.015705  0.574889  0.634861  1
  H  H294  1  0.344347  0.002627  0.645448  1
  H  H295  1  0.515705  0.074889  0.634861  1
  H  H296  1  0.682372  0.574889  0.634861  1
  H  H297  1  1.011014  0.002627  0.645448  1
  H  H298  1  0.182372  0.074889  0.634861  1
  H  H299  1  0.677680  0.002627  0.645448  1
  H  H300  1  0.849038  0.074889  0.634861  1
  H  H301  1  0.432372  0.324889  0.634861  1
  H  H302  1  1.099038  0.324889  0.634861  1
  H  H303  1  0.261014  0.252627  0.645448  1
  H  H304  1  0.765705  0.324889  0.634861  1
  H  H305  1  0.927680  0.252627  0.645448  1
  H  H306  1  0.265705  0.824889  0.634861  1
  H  H307  1  0.427680  0.752627  0.645448  1
  H  H308  1  0.594347  0.252627  0.645448  1
  H  H309  1  0.932372  0.824889  0.634861  1
  H  H310  1  1.094347  0.752627  0.645448  1
  H  H311  1  0.599038  0.824889  0.634861  1
  H  H312  1  0.761014  0.752627  0.645448  1
  H  H313  1  0.490524  0.351575  0.679407  1
  H  H314  1  0.157191  0.351575  0.679407  1
  H  H315  1  0.320430  0.421221  0.668469  1
  H  H316  1  0.823857  0.351575  0.679407  1
  H  H317  1  0.987096  0.421221  0.668469  1
  H  H318  1  0.323857  0.851575  0.679407  1
  H  H319  1  0.487096  0.921221  0.668469  1
  H  H320  1  0.653763  0.421221  0.668469  1
  H  H321  1  0.990524  0.851575  0.679407  1
  H  H322  1  0.153763  0.921221  0.668469  1
  H  H323  1  0.657191  0.851575  0.679407  1
  H  H324  1  0.820430  0.921221  0.668469  1
  H  H325  1  0.403763  0.171221  0.668469  1
  H  H326  1  1.070430  0.171221  0.668469  1
  H  H327  1  0.240524  0.101575  0.679407  1
  H  H328  1  0.737096  0.171221  0.668469  1
  H  H329  1  0.907191  0.101575  0.679407  1
  H  H330  1  0.237096  0.671221  0.668469  1
  H  H331  1  0.407191  0.601575  0.679407  1
  H  H332  1  0.573857  0.101575  0.679407  1
  H  H333  1  0.903763  0.671221  0.668469  1
  H  H334  1  1.073857  0.601575  0.679407  1
  H  H335  1  0.570430  0.671221  0.668469  1
  H  H336  1  0.740524  0.601575  0.679407  1
