# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.09805199
_cell_length_b   12.39646100
_cell_length_c   47.28614825
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.01315949
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7074.25821731
_cell_formula_units_Z   180
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  0.327934  0.841155  0.279104  1
  H  H2  1  0.337201  0.482343  0.295920  1
  H  H3  1  0.476259  0.544729  0.264749  1
  H  H4  1  0.661267  0.507822  0.279104  1
  H  H5  1  0.309592  0.211396  0.264749  1
  H  H6  1  0.494600  0.174489  0.279104  1
  H  H7  1  0.503867  0.815676  0.295920  1
  H  H8  1  0.642926  0.878062  0.264749  1
  H  H9  1  0.827934  0.841155  0.279104  1
  H  H10  1  0.837201  0.482343  0.295920  1
  H  H11  1  0.976259  0.544729  0.264749  1
  H  H12  1  0.161267  0.507822  0.279104  1
  H  H13  1  0.670534  0.149010  0.295920  1
  H  H14  1  0.809592  0.211396  0.264749  1
  H  H15  1  0.994600  0.174489  0.279104  1
  H  H16  1  1.003867  0.815676  0.295920  1
  H  H17  1  0.142926  0.878062  0.264749  1
  H  H18  1  0.170534  0.149010  0.295920  1
  H  H19  1  0.292690  0.659609  0.287077  1
  H  H20  1  0.297310  0.305013  0.305593  1
  H  H21  1  0.444070  0.356401  0.273217  1
  H  H22  1  0.626024  0.326276  0.287077  1
  H  H23  1  0.277403  0.023068  0.273217  1
  H  H24  1  0.459357  0.992943  0.287077  1
  H  H25  1  0.463976  0.638347  0.305593  1
  H  H26  1  0.610736  0.689734  0.273217  1
  H  H27  1  0.792690  0.659609  0.287077  1
  H  H28  1  0.797310  0.305013  0.305593  1
  H  H29  1  0.944070  0.356401  0.273217  1
  H  H30  1  0.126024  0.326276  0.287077  1
  H  H31  1  0.630643  0.971680  0.305593  1
  H  H32  1  0.777403  0.023068  0.273217  1
  H  H33  1  0.959357  0.992943  0.287077  1
  H  H34  1  0.963976  0.638347  0.305593  1
  H  H35  1  0.110736  0.689734  0.273217  1
  H  H36  1  0.130643  0.971680  0.305593  1
  H  H37  1  0.358001  0.770986  0.326347  1
  H  H38  1  0.369201  0.415386  0.341823  1
  H  H39  1  0.516974  0.461747  0.310996  1
  H  H40  1  0.691334  0.437652  0.326347  1
  H  H41  1  0.350308  0.128413  0.310996  1
  H  H42  1  0.524667  0.104319  0.326347  1
  H  H43  1  0.535868  0.748719  0.341823  1
  H  H44  1  0.683641  0.795080  0.310996  1
  H  H45  1  0.858001  0.770986  0.326347  1
  H  H46  1  0.869201  0.415386  0.341823  1
  H  H47  1  0.016974  0.461747  0.310996  1
  H  H48  1  0.191334  0.437652  0.326347  1
  H  H49  1  0.702535  0.082052  0.341823  1
  H  H50  1  0.850308  0.128413  0.310996  1
  H  H51  1  0.024667  0.104319  0.326347  1
  H  H52  1  0.035868  0.748719  0.341823  1
  H  H53  1  0.183641  0.795080  0.310996  1
  H  H54  1  0.202535  0.082052  0.341823  1
  H  H55  1  0.314027  0.591553  0.334682  1
  H  H56  1  0.323465  0.235408  0.350133  1
  H  H57  1  0.474107  0.282136  0.319050  1
  H  H58  1  0.647361  0.258219  0.334682  1
  H  H59  1  0.307440  0.948802  0.319050  1
  H  H60  1  0.480694  0.924886  0.334682  1
  H  H61  1  0.490131  0.568741  0.350133  1
  H  H62  1  0.640773  0.615469  0.319050  1
  H  H63  1  0.814027  0.591553  0.334682  1
  H  H64  1  0.823465  0.235408  0.350133  1
  H  H65  1  0.974107  0.282136  0.319050  1
  H  H66  1  0.147361  0.258219  0.334682  1
  H  H67  1  0.656798  0.902074  0.350133  1
  H  H68  1  0.807440  0.948802  0.319050  1
  H  H69  1  0.980694  0.924886  0.334682  1
  H  H70  1  0.990131  0.568741  0.350133  1
  H  H71  1  0.140773  0.615469  0.319050  1
  H  H72  1  0.156798  0.902074  0.350133  1
  H  H73  1  0.386615  0.701868  0.372099  1
  H  H74  1  0.395275  0.345340  0.387536  1
  H  H75  1  0.544174  0.391328  0.356918  1
  H  H76  1  0.719948  0.368535  0.372099  1
  H  H77  1  0.377507  0.057995  0.356918  1
  H  H78  1  0.553281  0.035202  0.372099  1
  H  H79  1  0.561942  0.678673  0.387536  1
  H  H80  1  0.710840  0.724662  0.356918  1
  H  H81  1  0.886615  0.701868  0.372099  1
  H  H82  1  0.895275  0.345340  0.387536  1
  H  H83  1  0.044174  0.391328  0.356918  1
  H  H84  1  0.219948  0.368535  0.372099  1
  H  H85  1  0.728608  0.012007  0.387536  1
  H  H86  1  0.877507  0.057995  0.356918  1
  H  H87  1  0.053281  0.035202  0.372099  1
  H  H88  1  0.061942  0.678673  0.387536  1
  H  H89  1  0.210840  0.724662  0.356918  1
  H  H90  1  0.228608  0.012007  0.387536  1
  H  H91  1  0.340116  0.522831  0.380404  1
  H  H92  1  0.348917  0.166041  0.395613  1
  H  H93  1  0.498197  0.212398  0.365003  1
  H  H94  1  0.673450  0.189498  0.380404  1
  H  H95  1  0.331530  0.879064  0.365003  1
  H  H96  1  0.506783  0.856164  0.380404  1
  H  H97  1  0.515583  0.499374  0.395613  1
  H  H98  1  0.664863  0.545731  0.365003  1
  H  H99  1  0.840116  0.522831  0.380404  1
  H  H100  1  0.848917  0.166041  0.395613  1
  H  H101  1  0.998197  0.212398  0.365003  1
  H  H102  1  0.173450  0.189498  0.380404  1
  H  H103  1  0.682250  0.832708  0.395613  1
  H  H104  1  0.831530  0.879064  0.365003  1
  H  H105  1  0.006783  0.856164  0.380404  1
  H  H106  1  0.015583  0.499374  0.395613  1
  H  H107  1  0.164863  0.545731  0.365003  1
  H  H108  1  0.182250  0.832708  0.395613  1
  H  H109  1  0.412723  0.632272  0.418002  1
  H  H110  1  0.421424  0.275634  0.433285  1
  H  H111  1  0.570680  0.322030  0.402722  1
  H  H112  1  0.746057  0.298939  0.418002  1
  H  H113  1  0.404013  0.988697  0.402722  1
  H  H114  1  0.579390  0.965605  0.418002  1
  H  H115  1  0.588090  0.608967  0.433285  1
  H  H116  1  0.737346  0.655364  0.402722  1
  H  H117  1  0.912723  0.632272  0.418002  1
  H  H118  1  0.921424  0.275634  0.433285  1
  H  H119  1  0.070680  0.322030  0.402722  1
  H  H120  1  0.246057  0.298939  0.418002  1
  H  H121  1  0.754757  0.942301  0.433285  1
  H  H122  1  0.904013  0.988697  0.402722  1
  H  H123  1  0.079390  0.965605  0.418002  1
  H  H124  1  0.088090  0.608967  0.433285  1
  H  H125  1  0.237346  0.655364  0.402722  1
  H  H126  1  0.254757  0.942301  0.433285  1
  H  H127  1  0.366302  0.453169  0.426125  1
  H  H128  1  0.375034  0.096553  0.441361  1
  H  H129  1  0.524263  0.142914  0.410807  1
  H  H130  1  0.699636  0.119835  0.426125  1
  H  H131  1  0.357596  0.809581  0.410807  1
  H  H132  1  0.532969  0.786502  0.426125  1
  H  H133  1  0.541701  0.429887  0.441361  1
  H  H134  1  0.690929  0.476248  0.410807  1
  H  H135  1  0.866302  0.453169  0.426125  1
  H  H136  1  0.875034  0.096553  0.441361  1
  H  H137  1  0.024263  0.142914  0.410807  1
  H  H138  1  0.199636  0.119835  0.426125  1
  H  H139  1  0.708368  0.763220  0.441361  1
  H  H140  1  0.857596  0.809581  0.410807  1
  H  H141  1  0.032969  0.786502  0.426125  1
  H  H142  1  0.041701  0.429887  0.441361  1
  H  H143  1  0.190929  0.476248  0.410807  1
  H  H144  1  0.208368  0.763220  0.441361  1
  H  H145  1  0.438833  0.562623  0.463808  1
  H  H146  1  0.447535  0.206061  0.479074  1
  H  H147  1  0.596786  0.252465  0.448534  1
  H  H148  1  0.772166  0.229290  0.463808  1
  H  H149  1  0.430119  0.919132  0.448534  1
  H  H150  1  0.605500  0.895956  0.463808  1
  H  H151  1  0.614201  0.539395  0.479074  1
  H  H152  1  0.763453  0.585798  0.448534  1
  H  H153  1  0.938833  0.562623  0.463808  1
  H  H154  1  0.947535  0.206061  0.479074  1
  H  H155  1  0.096786  0.252465  0.448534  1
  H  H156  1  0.272166  0.229290  0.463808  1
  H  H157  1  0.780868  0.872728  0.479074  1
  H  H158  1  0.930119  0.919132  0.448534  1
  H  H159  1  0.105500  0.895956  0.463808  1
  H  H160  1  0.114201  0.539395  0.479074  1
  H  H161  1  0.263453  0.585798  0.448534  1
  H  H162  1  0.280868  0.872728  0.479074  1
  H  H163  1  0.392447  0.383539  0.471888  1
  H  H164  1  0.401151  0.026996  0.487151  1
  H  H165  1  0.550394  0.073407  0.456621  1
  H  H166  1  0.725781  0.050206  0.471888  1
  H  H167  1  0.383727  0.740074  0.456621  1
  H  H168  1  0.559114  0.716873  0.471888  1
  H  H169  1  0.567818  0.360329  0.487151  1
  H  H170  1  0.717060  0.406740  0.456621  1
  H  H171  1  0.892447  0.383539  0.471888  1
  H  H172  1  0.901151  0.026996  0.487151  1
  H  H173  1  0.050394  0.073407  0.456621  1
  H  H174  1  0.225781  0.050206  0.471888  1
  H  H175  1  0.734484  0.693662  0.487151  1
  H  H176  1  0.883727  0.740074  0.456621  1
  H  H177  1  0.059114  0.716873  0.471888  1
  H  H178  1  0.067818  0.360329  0.487151  1
  H  H179  1  0.217060  0.406740  0.456621  1
  H  H180  1  0.234484  0.693662  0.487151  1
  H  H181  1  0.464948  0.493015  0.509597  1
  H  H182  1  0.473668  0.136481  0.524864  1
  H  H183  1  0.622911  0.182892  0.494335  1
  H  H184  1  0.798281  0.159682  0.509597  1
  H  H185  1  0.456244  0.849559  0.494335  1
  H  H186  1  0.631614  0.826348  0.509597  1
  H  H187  1  0.640335  0.469814  0.524864  1
  H  H188  1  0.789577  0.516225  0.494335  1
  H  H189  1  0.964948  0.493015  0.509597  1
  H  H190  1  0.973668  0.136481  0.524864  1
  H  H191  1  0.122911  0.182892  0.494335  1
  H  H192  1  0.298281  0.159682  0.509597  1
  H  H193  1  0.807001  0.803147  0.524864  1
  H  H194  1  0.956244  0.849559  0.494335  1
  H  H195  1  0.131614  0.826348  0.509597  1
  H  H196  1  0.140335  0.469814  0.524864  1
  H  H197  1  0.289577  0.516225  0.494335  1
  H  H198  1  0.307001  0.803147  0.524864  1
  H  H199  1  0.418562  0.313931  0.517677  1
  H  H200  1  0.427275  0.957423  0.532952  1
  H  H201  1  0.576527  0.003826  0.502412  1
  H  H202  1  0.751895  0.980598  0.517677  1
  H  H203  1  0.409860  0.670493  0.502412  1
  H  H204  1  0.585228  0.647265  0.517677  1
  H  H205  1  0.593942  0.290756  0.532952  1
  H  H206  1  0.743193  0.337160  0.502412  1
  H  H207  1  0.918562  0.313931  0.517677  1
  H  H208  1  0.927275  0.957423  0.532952  1
  H  H209  1  0.076527  0.003826  0.502412  1
  H  H210  1  0.251895  0.980598  0.517677  1
  H  H211  1  0.760609  0.624089  0.532952  1
  H  H212  1  0.909860  0.670493  0.502412  1
  H  H213  1  0.085228  0.647265  0.517677  1
  H  H214  1  0.093942  0.290756  0.532952  1
  H  H215  1  0.243193  0.337160  0.502412  1
  H  H216  1  0.260609  0.624089  0.532952  1
  H  H217  1  0.491092  0.423386  0.555361  1
  H  H218  1  0.499799  0.066973  0.570679  1
  H  H219  1  0.649027  0.113334  0.540125  1
  H  H220  1  0.824426  0.090052  0.555361  1
  H  H221  1  0.482360  0.780001  0.540125  1
  H  H222  1  0.657759  0.756719  0.555361  1
  H  H223  1  0.666466  0.400307  0.570679  1
  H  H224  1  0.815694  0.446668  0.540125  1
  H  H225  1  0.991092  0.423386  0.555361  1
  H  H226  1  0.999799  0.066973  0.570679  1
  H  H227  1  0.149027  0.113334  0.540125  1
  H  H228  1  0.324426  0.090052  0.555361  1
  H  H229  1  0.833132  0.733640  0.570679  1
  H  H230  1  0.982360  0.780001  0.540125  1
  H  H231  1  0.157759  0.756719  0.555361  1
  H  H232  1  0.166466  0.400307  0.570679  1
  H  H233  1  0.315694  0.446668  0.540125  1
  H  H234  1  0.333132  0.733640  0.570679  1
  H  H235  1  0.444672  0.244282  0.563484  1
  H  H236  1  0.453382  0.887857  0.578764  1
  H  H237  1  0.602638  0.934254  0.548201  1
  H  H238  1  0.778005  0.910949  0.563484  1
  H  H239  1  0.435971  0.600920  0.548201  1
  H  H240  1  0.611338  0.577616  0.563484  1
  H  H241  1  0.620048  0.221191  0.578764  1
  H  H242  1  0.769304  0.267587  0.548201  1
  H  H243  1  0.944672  0.244282  0.563484  1
  H  H244  1  0.953382  0.887857  0.578764  1
  H  H245  1  0.102638  0.934254  0.548201  1
  H  H246  1  0.278005  0.910949  0.563484  1
  H  H247  1  0.786715  0.554524  0.578764  1
  H  H248  1  0.935971  0.600920  0.548201  1
  H  H249  1  0.111338  0.577616  0.563484  1
  H  H250  1  0.120048  0.221191  0.578764  1
  H  H251  1  0.269304  0.267587  0.548201  1
  H  H252  1  0.286715  0.554524  0.578764  1
  H  H253  1  0.517279  0.353723  0.601082  1
  H  H254  1  0.525865  0.997490  0.616483  1
  H  H255  1  0.675145  0.043847  0.585873  1
  H  H256  1  0.850612  0.020390  0.601082  1
  H  H257  1  0.508478  0.710513  0.585873  1
  H  H258  1  0.683945  0.687057  0.601082  1
  H  H259  1  0.692532  0.330824  0.616483  1
  H  H260  1  0.841811  0.377180  0.585873  1
  H  H261  1  0.017279  0.353723  0.601082  1
  H  H262  1  0.025865  0.997490  0.616483  1
  H  H263  1  0.175145  0.043847  0.585873  1
  H  H264  1  0.350612  0.020390  0.601082  1
  H  H265  1  0.859198  0.664157  0.616483  1
  H  H266  1  0.008478  0.710513  0.585873  1
  H  H267  1  0.183945  0.687057  0.601082  1
  H  H268  1  0.192532  0.330824  0.616483  1
  H  H269  1  0.341811  0.377180  0.585873  1
  H  H270  1  0.359198  0.664157  0.616483  1
  H  H271  1  0.470780  0.174686  0.609387  1
  H  H272  1  0.479888  0.818560  0.624567  1
  H  H273  1  0.628787  0.864548  0.593950  1
  H  H274  1  0.804114  0.841353  0.609387  1
  H  H275  1  0.462120  0.531214  0.593950  1
  H  H276  1  0.637447  0.508019  0.609387  1
  H  H277  1  0.646555  0.151893  0.624567  1
  H  H278  1  0.795453  0.197881  0.593950  1
  H  H279  1  0.970780  0.174686  0.609387  1
  H  H280  1  0.979888  0.818560  0.624567  1
  H  H281  1  0.128787  0.864548  0.593950  1
  H  H282  1  0.304114  0.841353  0.609387  1
  H  H283  1  0.813221  0.485226  0.624567  1
  H  H284  1  0.962120  0.531214  0.593950  1
  H  H285  1  0.137447  0.508019  0.609387  1
  H  H286  1  0.146555  0.151893  0.624567  1
  H  H287  1  0.295453  0.197881  0.593950  1
  H  H288  1  0.313221  0.485226  0.624567  1
  H  H289  1  0.543367  0.285002  0.646804  1
  H  H290  1  0.549955  0.927752  0.662435  1
  H  H291  1  0.700597  0.974480  0.631353  1
  H  H292  1  0.876701  0.951669  0.646804  1
  H  H293  1  0.533930  0.641147  0.631353  1
  H  H294  1  0.710034  0.618335  0.646804  1
  H  H295  1  0.716622  0.261085  0.662435  1
  H  H296  1  0.867263  0.307813  0.631353  1
  H  H297  1  0.043367  0.285002  0.646804  1
  H  H298  1  0.049955  0.927752  0.662435  1
  H  H299  1  0.200597  0.974480  0.631353  1
  H  H300  1  0.376701  0.951669  0.646804  1
  H  H301  1  0.883288  0.594419  0.662435  1
  H  H302  1  0.033930  0.641147  0.631353  1
  H  H303  1  0.210034  0.618335  0.646804  1
  H  H304  1  0.216622  0.261085  0.662435  1
  H  H305  1  0.367263  0.307813  0.631353  1
  H  H306  1  0.383288  0.594419  0.662435  1
  H  H307  1  0.499394  0.105569  0.655138  1
  H  H308  1  0.507087  0.748141  0.670490  1
  H  H309  1  0.654860  0.794502  0.639662  1
  H  H310  1  0.832728  0.772235  0.655138  1
  H  H311  1  0.488194  0.461169  0.639662  1
  H  H312  1  0.666061  0.438902  0.655138  1
  H  H313  1  0.673754  0.081475  0.670490  1
  H  H314  1  0.821527  0.127835  0.639662  1
  H  H315  1  0.999394  0.105569  0.655138  1
  H  H316  1  0.007087  0.748141  0.670490  1
  H  H317  1  0.154860  0.794502  0.639662  1
  H  H318  1  0.332728  0.772235  0.655138  1
  H  H319  1  0.840420  0.414808  0.670490  1
  H  H320  1  0.988194  0.461169  0.639662  1
  H  H321  1  0.166061  0.438902  0.655138  1
  H  H322  1  0.173754  0.081475  0.670490  1
  H  H323  1  0.321527  0.127835  0.639662  1
  H  H324  1  0.340420  0.414808  0.670490  1
  H  H325  1  0.564704  0.216945  0.694409  1
  H  H326  1  0.579992  0.853487  0.708269  1
  H  H327  1  0.726752  0.904874  0.675893  1
  H  H328  1  0.898038  0.883612  0.694409  1
  H  H329  1  0.560085  0.571541  0.675893  1
  H  H330  1  0.731371  0.550278  0.694409  1
  H  H331  1  0.746658  0.186820  0.708269  1
  H  H332  1  0.893418  0.238208  0.675893  1
  H  H333  1  0.064704  0.216945  0.694409  1
  H  H334  1  0.079992  0.853487  0.708269  1
  H  H335  1  0.226752  0.904874  0.675893  1
  H  H336  1  0.398038  0.883612  0.694409  1
  H  H337  1  0.913325  0.520153  0.708269  1
  H  H338  1  0.060085  0.571541  0.675893  1
  H  H339  1  0.231371  0.550278  0.694409  1
  H  H340  1  0.246658  0.186820  0.708269  1
  H  H341  1  0.393418  0.238208  0.675893  1
  H  H342  1  0.413325  0.520153  0.708269  1
  H  H343  1  0.529461  0.035399  0.702382  1
  H  H344  1  0.547802  0.665159  0.716736  1
  H  H345  1  0.686861  0.727545  0.685566  1
  H  H346  1  0.862794  0.702066  0.702382  1
  H  H347  1  0.520194  0.394211  0.685566  1
  H  H348  1  0.696128  0.368732  0.702382  1
  H  H349  1  0.714469  0.998492  0.716736  1
  H  H350  1  0.853527  0.060878  0.685566  1
  H  H351  1  0.029461  0.035399  0.702382  1
  H  H352  1  0.047802  0.665159  0.716736  1
  H  H353  1  0.186861  0.727545  0.685566  1
  H  H354  1  0.362794  0.702066  0.702382  1
  H  H355  1  0.881136  0.331826  0.716736  1
  H  H356  1  0.020194  0.394211  0.685566  1
  H  H357  1  0.196128  0.368732  0.702382  1
  H  H358  1  0.214469  0.998492  0.716736  1
  H  H359  1  0.353527  0.060878  0.685566  1
  H  H360  1  0.381136  0.331826  0.716736  1
