# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63868779
_cell_length_b   8.16290355
_cell_length_c   46.57780095
_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   H144
_cell_volume   2904.30622265
_cell_formula_units_Z   72
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  0.827623  0.254613  0.270277  1
  H  H2  1  0.824131  0.676321  0.294943  1
  H  H3  1  0.573547  0.176321  0.294943  1
  H  H4  1  0.570055  0.754613  0.270277  1
  H  H5  1  0.322341  0.295327  0.273687  1
  H  H6  1  0.324587  0.725504  0.299286  1
  H  H7  1  0.073091  0.225504  0.299286  1
  H  H8  1  0.075338  0.795327  0.273687  1
  H  H9  1  0.828320  0.408452  0.310508  1
  H  H10  1  0.816973  0.963352  0.282728  1
  H  H11  1  0.580705  0.463352  0.282728  1
  H  H12  1  0.569359  0.908452  0.310508  1
  H  H13  1  0.327957  0.458920  0.313234  1
  H  H14  1  0.318170  1.004043  0.285249  1
  H  H15  1  0.079508  0.504043  0.285249  1
  H  H16  1  0.069722  0.958920  0.313234  1
  H  H17  1  0.820808  1.132267  0.322193  1
  H  H18  1  0.825985  0.584987  0.347634  1
  H  H19  1  0.571693  1.084987  0.347634  1
  H  H20  1  0.576871  0.632267  0.322193  1
  H  H21  1  0.325736  0.183765  0.324588  1
  H  H22  1  0.323906  0.640708  0.350427  1
  H  H23  1  0.073772  1.140708  0.350427  1
  H  H24  1  0.071942  0.683765  0.324588  1
  H  H25  1  0.824861  0.310680  0.360069  1
  H  H26  1  0.822286  0.854657  0.333906  1
  H  H27  1  0.575392  0.354657  0.333906  1
  H  H28  1  0.572818  0.810680  0.360069  1
  H  H29  1  0.326006  0.365357  0.362890  1
  H  H30  1  0.321459  0.911715  0.337548  1
  H  H31  1  0.076220  0.411715  0.337548  1
  H  H32  1  0.071672  0.865357  0.362890  1
  H  H33  1  0.823989  1.035532  0.372122  1
  H  H34  1  0.824136  0.489968  0.397940  1
  H  H35  1  0.573542  0.989968  0.397940  1
  H  H36  1  0.573689  0.535532  0.372122  1
  H  H37  1  0.323617  1.092965  0.375683  1
  H  H38  1  0.324689  0.546625  0.400933  1
  H  H39  1  0.072989  1.046625  0.400933  1
  H  H40  1  0.074061  0.592965  0.375683  1
  H  H41  1  0.824617  0.215705  0.410362  1
  H  H42  1  0.823941  0.763532  0.385279  1
  H  H43  1  0.573738  0.263532  0.385279  1
  H  H44  1  0.573062  0.715705  0.410362  1
  H  H45  1  0.324555  0.273635  0.413750  1
  H  H46  1  0.323246  0.820600  0.388401  1
  H  H47  1  0.074432  0.320600  0.388401  1
  H  H48  1  0.073123  0.773635  0.413750  1
  H  H49  1  0.824306  0.943051  0.423201  1
  H  H50  1  0.824252  0.395997  0.448468  1
  H  H51  1  0.573426  0.895997  0.448468  1
  H  H52  1  0.573372  0.443051  0.423201  1
  H  H53  1  0.323976  1.000739  0.426435  1
  H  H54  1  0.324236  0.454106  0.451778  1
  H  H55  1  0.073443  0.954106  0.451778  1
  H  H56  1  0.073703  0.500739  0.426435  1
  H  H57  1  0.824437  1.123011  0.461207  1
  H  H58  1  0.823920  0.669717  0.435903  1
  H  H59  1  0.573759  1.169717  0.435903  1
  H  H60  1  0.573241  0.623011  0.461207  1
  H  H61  1  0.324251  0.180973  0.464476  1
  H  H62  1  0.324122  0.727196  0.439036  1
  H  H63  1  0.073556  0.227196  0.439036  1
  H  H64  1  0.073428  0.680973  0.464476  1
  H  H65  1  0.824218  0.849820  0.473906  1
  H  H66  1  0.824207  0.303171  0.499230  1
  H  H67  1  0.573471  0.803171  0.499230  1
  H  H68  1  0.573460  0.349820  0.473906  1
  H  H69  1  0.324288  0.907543  0.477100  1
  H  H70  1  0.324113  0.361281  0.502516  1
  H  H71  1  0.073566  0.861281  0.502516  1
  H  H72  1  0.073390  0.407543  0.477100  1
  H  H73  1  0.824288  1.030041  0.511941  1
  H  H74  1  0.824113  0.576303  0.486525  1
  H  H75  1  0.573566  1.076303  0.486525  1
  H  H76  1  0.573390  0.530041  0.511941  1
  H  H77  1  0.324218  1.087764  0.515135  1
  H  H78  1  0.324207  0.634413  0.489811  1
  H  H79  1  0.073471  1.134413  0.489811  1
  H  H80  1  0.073460  0.587764  0.515135  1
  H  H81  1  0.824251  0.756611  0.524564  1
  H  H82  1  0.824122  0.210387  0.550005  1
  H  H83  1  0.573556  0.710387  0.550005  1
  H  H84  1  0.573428  0.256611  0.524564  1
  H  H85  1  0.324437  0.814573  0.527834  1
  H  H86  1  0.323920  0.267867  0.553138  1
  H  H87  1  0.073759  0.767867  0.553138  1
  H  H88  1  0.073241  0.314573  0.527834  1
  H  H89  1  0.823976  0.936845  0.562606  1
  H  H90  1  0.824236  0.483477  0.537263  1
  H  H91  1  0.573443  0.983477  0.537263  1
  H  H92  1  0.573703  0.436845  0.562606  1
  H  H93  1  0.324306  0.994532  0.565840  1
  H  H94  1  0.324252  0.541587  0.540573  1
  H  H95  1  0.073426  1.041587  0.540573  1
  H  H96  1  0.073372  0.494532  0.565840  1
  H  H97  1  0.824555  0.663949  0.575291  1
  H  H98  1  0.823246  1.116983  0.600639  1
  H  H99  1  0.574432  0.616983  0.600639  1
  H  H100  1  0.573123  1.163949  0.575291  1
  H  H101  1  0.324617  0.721879  0.578678  1
  H  H102  1  0.323941  1.174051  0.603761  1
  H  H103  1  0.073738  0.674051  0.603761  1
  H  H104  1  0.073062  0.221879  0.578678  1
  H  H105  1  0.823617  0.844619  0.613357  1
  H  H106  1  0.824689  0.390959  0.588107  1
  H  H107  1  0.572989  0.890959  0.588107  1
  H  H108  1  0.574061  0.344619  0.613357  1
  H  H109  1  0.323989  0.902052  0.616919  1
  H  H110  1  0.324136  0.447616  0.591100  1
  H  H111  1  0.073542  0.947616  0.591100  1
  H  H112  1  0.073689  0.402052  0.616919  1
  H  H113  1  0.826006  0.572226  0.626151  1
  H  H114  1  0.821459  1.025868  0.651492  1
  H  H115  1  0.576220  0.525868  0.651492  1
  H  H116  1  0.571672  1.072226  0.626151  1
  H  H117  1  0.324861  0.626904  0.628971  1
  H  H118  1  0.322286  1.082927  0.655134  1
  H  H119  1  0.075392  0.582927  0.655134  1
  H  H120  1  0.072818  1.126904  0.628971  1
  H  H121  1  0.825736  0.753818  0.664453  1
  H  H122  1  0.823906  0.296876  0.638614  1
  H  H123  1  0.573772  0.796876  0.638614  1
  H  H124  1  0.571942  0.253818  0.664453  1
  H  H125  1  0.320808  0.805317  0.666847  1
  H  H126  1  0.325985  0.352596  0.641407  1
  H  H127  1  0.071693  0.852596  0.641407  1
  H  H128  1  0.076871  0.305317  0.666847  1
  H  H129  1  0.827957  0.478663  0.675807  1
  H  H130  1  0.818170  0.933541  0.703792  1
  H  H131  1  0.579508  0.433541  0.703792  1
  H  H132  1  0.569722  0.978663  0.675807  1
  H  H133  1  0.328320  0.529131  0.678533  1
  H  H134  1  0.316973  0.974232  0.706313  1
  H  H135  1  0.080705  0.474232  0.706313  1
  H  H136  1  0.069359  1.029131  0.678533  1
  H  H137  1  0.822341  0.642257  0.715353  1
  H  H138  1  0.824587  0.212080  0.689754  1
  H  H139  1  0.573091  0.712080  0.689754  1
  H  H140  1  0.575338  1.142257  0.715353  1
  H  H141  1  0.327623  0.682971  0.718763  1
  H  H142  1  0.324131  0.261262  0.694098  1
  H  H143  1  0.073547  0.761262  0.694098  1
  H  H144  1  0.070055  0.182971  0.718763  1
