# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36589788
_cell_length_b   7.31519341
_cell_length_c   44.82964311
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   56.72968473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2842.18230006
_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  0.147257  0.368594  0.318057  1
  H  H2  1  0.787302  0.311361  0.309114  1
  H  H3  1  0.107106  0.079664  0.331720  1
  H  H4  1  0.393161  0.303593  0.300041  1
  H  H5  1  0.725661  0.055508  0.323965  1
  H  H6  1  0.081520  0.800426  0.351090  1
  H  H7  1  0.356443  0.020028  0.315136  1
  H  H8  1  0.701944  0.771024  0.340594  1
  H  H9  1  0.325875  0.740502  0.331493  1
  H  H10  1  0.909887  0.430226  0.337679  1
  H  H11  1  0.529833  0.401149  0.328322  1
  H  H12  1  0.874860  0.138312  0.353934  1
  H  H13  1  0.288798  0.457250  0.347520  1
  H  H14  1  0.494609  0.112234  0.344577  1
  H  H15  1  0.939232  0.717594  0.321394  1
  H  H16  1  0.254305  0.170241  0.362560  1
  H  H17  1  0.570601  0.672996  0.311556  1
  H  H18  1  0.171427  0.675725  0.303515  1
  H  H19  1  0.051134  0.516031  0.366416  1
  H  H20  1  0.671525  0.484439  0.357063  1
  H  H21  1  0.017650  0.230360  0.381656  1
  H  H22  1  0.430465  0.544635  0.376034  1
  H  H23  1  0.636129  0.202146  0.372708  1
  H  H24  1  0.984473  0.947115  0.398349  1
  H  H25  1  0.396604  0.260239  0.391649  1
  H  H26  1  0.605030  0.917169  0.388696  1
  H  H27  1  0.364847  0.977058  0.407523  1
  H  H28  1  0.811214  0.574027  0.385408  1
  H  H29  1  0.571678  0.633248  0.404523  1
  H  H30  1  0.778166  0.290277  0.401375  1
  H  H31  1  0.191361  0.604227  0.395019  1
  H  H32  1  0.538430  0.349517  0.420387  1
  H  H33  1  0.842349  0.857940  0.369670  1
  H  H34  1  0.158331  0.319899  0.410659  1
  H  H35  1  0.465401  0.827201  0.360332  1
  H  H36  1  0.223946  0.888820  0.378618  1
  H  H37  1  0.952003  0.662950  0.413979  1
  H  H38  1  0.712691  0.722312  0.433107  1
  H  H39  1  0.919520  0.378974  0.429827  1
  H  H40  1  0.332032  0.693397  0.423498  1
  H  H41  1  0.679735  0.438600  0.449045  1
  H  H42  1  0.886414  0.095515  0.445929  1
  H  H43  1  0.299406  0.408905  0.439458  1
  H  H44  1  0.647022  0.154633  0.464970  1
  H  H45  1  0.266744  0.125089  0.455347  1
  H  H46  1  0.853661  0.811336  0.461742  1
  H  H47  1  0.473171  0.781919  0.452179  1
  H  H48  1  0.820928  0.527436  0.477662  1
  H  H49  1  0.092929  0.752040  0.442686  1
  H  H50  1  0.440442  0.497957  0.468120  1
  H  H51  1  0.745392  0.006780  0.417253  1
  H  H52  1  0.060283  0.468108  0.458543  1
  H  H53  1  0.505986  0.065690  0.436282  1
  H  H54  1  0.125857  0.036362  0.426588  1
  H  H55  1  0.994651  0.900301  0.490434  1
  H  H56  1  0.614293  0.870661  0.480861  1
  H  H57  1  0.961927  0.616366  0.506331  1
  H  H58  1  0.233923  0.841161  0.471274  1
  H  H59  1  0.581509  0.586830  0.496790  1
  H  H60  1  0.929158  0.332450  0.522256  1
  H  H61  1  0.201236  0.557094  0.487239  1
  H  H62  1  0.548770  0.302847  0.512718  1
  H  H63  1  0.168483  0.273178  0.503150  1
  H  H64  1  0.755348  0.959570  0.509525  1
  H  H65  1  0.374974  0.929997  0.499961  1
  H  H66  1  0.722594  0.675667  0.525446  1
  H  H67  1  0.135698  0.989246  0.519070  1
  H  H68  1  0.342233  0.646070  0.515891  1
  H  H69  1  0.788066  0.243599  0.493626  1
  H  H70  1  0.102943  0.705286  0.535005  1
  H  H71  1  0.407759  0.213914  0.484050  1
  H  H72  1  0.027531  0.184295  0.474471  1
  H  H73  1  0.896364  0.048534  0.538194  1
  H  H74  1  0.516027  0.018879  0.528634  1
  H  H75  1  0.863636  0.764572  0.554105  1
  H  H76  1  0.276732  0.078129  0.547747  1
  H  H77  1  0.483254  0.734960  0.544566  1
  H  H78  1  0.830863  0.480628  0.570025  1
  H  H79  1  0.243972  0.794197  0.563667  1
  H  H80  1  0.450482  0.451014  0.560487  1
  H  H81  1  0.211211  0.510227  0.579593  1
  H  H82  1  0.657053  0.107820  0.557300  1
  H  H83  1  0.417743  0.167065  0.576413  1
  H  H84  1  0.624288  0.823863  0.573214  1
  H  H85  1  0.037455  0.137410  0.566847  1
  H  H86  1  0.384966  0.883049  0.592360  1
  H  H87  1  0.689792  0.391762  0.541383  1
  H  H88  1  1.004686  0.853500  0.582762  1
  H  H89  1  0.309487  0.362080  0.531822  1
  H  H90  1  0.070195  0.421325  0.550922  1
  H  H91  1  0.798059  0.196801  0.585970  1
  H  H92  1  0.558696  0.256073  0.605081  1
  H  H93  1  0.765343  0.912769  0.601860  1
  H  H94  1  0.178559  0.226240  0.595533  1
  H  H95  1  0.525930  0.971959  0.620981  1
  H  H96  1  0.732445  0.628851  0.617773  1
  H  H97  1  0.145810  0.942307  0.611444  1
  H  H98  1  0.492929  0.688069  0.637040  1
  H  H99  1  0.113032  0.658499  0.627348  1
  H  H100  1  0.699490  0.345202  0.633758  1
  H  H101  1  0.319614  0.315121  0.624214  1
  H  H102  1  0.666828  0.060999  0.649560  1
  H  H103  1  0.939279  0.285626  0.614594  1
  H  H104  1  0.286932  0.030852  0.640195  1
  H  H105  1  0.591423  0.539954  0.589167  1
  H  H106  1  0.906427  0.001783  0.630497  1
  H  H107  1  0.352165  0.599144  0.608276  1
  H  H108  1  0.971963  0.569485  0.598677  1
  H  H109  1  0.840702  0.434039  0.662184  1
  H  H110  1  0.460363  0.404419  0.652901  1
  H  H111  1  0.807700  0.149373  0.678051  1
  H  H112  1  0.080625  0.374442  0.643259  1
  H  H113  1  0.427896  0.119269  0.668779  1
  H  H114  1  0.776091  0.866294  0.693974  1
  H  H115  1  0.047595  0.090809  0.659133  1
  H  H116  1  0.395183  0.835927  0.685199  1
  H  H117  1  0.015113  0.807508  0.675056  1
  H  H118  1  0.601353  0.492953  0.681661  1
  H  H119  1  0.221956  0.463735  0.671878  1
  H  H120  1  0.568314  0.207971  0.696993  1
  H  H121  1  0.982208  0.522745  0.690682  1
  H  H122  1  0.188564  0.179141  0.687770  1
  H  H123  1  0.633665  0.777622  0.665557  1
  H  H124  1  0.946201  0.239262  0.706262  1
  H  H125  1  0.254186  0.747552  0.656115  1
  H  H126  1  0.873700  0.717779  0.646392  1
  H  H127  1  0.743518  0.585328  0.709547  1
  H  H128  1  0.363347  0.553220  0.700628  1
  H  H129  1  0.710147  0.291905  0.725757  1
  H  H130  1  0.123879  0.611928  0.719004  1
  H  H131  1  0.330544  0.267064  0.715937  1
  H  H132  1  0.678300  0.007473  0.742518  1
  H  H133  1  0.086360  0.323737  0.734766  1
  H  H134  1  0.299296  0.987072  0.733899  1
  H  H135  1  0.048582  0.050674  0.751892  1
  H  H136  1  0.509586  0.638815  0.730677  1
  H  H137  1  0.261897  0.703866  0.748288  1
  H  H138  1  0.471450  0.354960  0.745236  1
  H  H139  1  0.891861  0.669489  0.739379  1
  H  H140  1  0.230124  0.410687  0.762991  1
  H  H141  1  0.535859  0.924510  0.714100  1
  H  H142  1  0.832593  0.410497  0.754309  1
  H  H143  1  0.156162  0.898400  0.703685  1
  H  H144  1  0.917491  0.952348  0.722934  1
