# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.37618538
_cell_length_b   15.35539896
_cell_length_c   15.72722194
_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   H391
_cell_volume   3713.31443942
_cell_formula_units_Z   195
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  0.071485  0.058188  -0.008292  1
  H  H2  1  0.016086  0.208951  0.330452  1
  H  H3  1  0.024031  0.186763  0.824690  1
  H  H4  1  0.044008  0.347464  0.285555  1
  H  H5  1  0.053232  0.324572  0.787123  1
  H  H6  1  0.075366  0.489726  0.235415  1
  H  H7  1  0.065826  0.475810  0.756978  1
  H  H8  1  0.030209  0.670296  0.276504  1
  H  H9  1  0.058611  0.708184  0.738834  1
  H  H10  1  0.039526  0.814806  0.308733  1
  H  H11  1  0.047050  0.828867  0.815198  1
  H  H12  1  0.058796  0.953443  0.355394  1
  H  H13  1  0.044663  0.940485  0.906405  1
  H  H14  1  0.185679  0.027889  0.324642  1
  H  H15  1  0.126422  0.048761  0.845225  1
  H  H16  1  0.160204  0.182855  0.331213  1
  H  H17  1  0.170933  0.184327  0.814968  1
  H  H18  1  0.191726  0.321031  0.294715  1
  H  H19  1  0.200148  0.324934  0.778267  1
  H  H20  1  0.227464  0.462886  0.266486  1
  H  H21  1  0.220175  0.468219  0.766836  1
  H  H22  1  0.290229  0.601867  0.295933  1
  H  H23  1  0.213514  0.672152  0.686625  1
  H  H24  1  0.171588  0.735950  0.320044  1
  H  H25  1  0.183861  0.764513  0.805169  1
  H  H26  1  0.193593  0.883073  0.331009  1
  H  H27  1  0.186522  0.909735  0.841927  1
  H  H28  1  0.341380  0.037959  0.301296  1
  H  H29  1  0.282926  0.038418  0.810060  1
  H  H30  1  0.300333  0.183843  0.305095  1
  H  H31  1  0.315718  0.182358  0.794190  1
  H  H32  1  0.336823  0.328646  0.273853  1
  H  H33  1  0.343637  0.326197  0.770575  1
  H  H34  1  0.372063  0.472367  0.291090  1
  H  H35  1  0.363649  0.471497  0.797508  1
  H  H36  1  0.431712  0.618005  0.300192  1
  H  H37  1  0.302081  0.608250  0.796358  1
  H  H38  1  0.320364  0.745278  0.318500  1
  H  H39  1  0.329911  0.750971  0.811297  1
  H  H40  1  0.339239  0.890396  0.317176  1
  H  H41  1  0.332616  0.895369  0.807168  1
  H  H42  1  0.495118  0.071739  0.264105  1
  H  H43  1  0.435003  0.062931  0.778109  1
  H  H44  1  0.439519  0.199337  0.269249  1
  H  H45  1  0.460545  0.207338  0.768190  1
  H  H46  1  0.484856  0.334949  0.279092  1
  H  H47  1  0.488526  0.352456  0.791152  1
  H  H48  1  0.514978  0.475488  0.301722  1
  H  H49  1  0.506800  0.494163  0.812322  1
  H  H50  1  0.574130  0.625046  0.299322  1
  H  H51  1  0.451649  0.634667  0.817271  1
  H  H52  1  0.461971  0.772410  0.303673  1
  H  H53  1  0.471563  0.781821  0.818972  1
  H  H54  1  0.474360  0.925794  0.281438  1
  H  H55  1  0.474330  0.915221  0.773026  1
  H  H56  1  0.649713  0.061641  0.277494  1
  H  H57  1  0.585401  0.108862  0.746751  1
  H  H58  1  0.596501  0.220020  0.288899  1
  H  H59  1  0.608421  0.246661  0.796429  1
  H  H60  1  0.629435  0.372676  0.295529  1
  H  H61  1  0.627852  0.396051  0.809103  1
  H  H62  1  0.636901  0.508804  0.361428  1
  H  H63  1  0.641516  0.546336  0.841502  1
  H  H64  1  0.678094  0.684521  0.375669  1
  H  H65  1  0.597666  0.694862  0.825840  1
  H  H66  1  0.605948  0.773831  0.286672  1
  H  H67  1  0.615490  0.849060  0.798768  1
  H  H68  1  0.621204  0.917930  0.277987  1
  H  H69  1  0.681993  0.994781  0.756732  1
  H  H70  1  0.812447  0.031369  0.295453  1
  H  H71  1  0.818569  0.029805  0.811387  1
  H  H72  1  0.733536  0.166623  0.317441  1
  H  H73  1  0.729114  0.148690  0.793794  1
  H  H74  1  0.757271  0.308873  0.311984  1
  H  H75  1  0.752965  0.292398  0.814786  1
  H  H76  1  0.783183  0.452868  0.313644  1
  H  H77  1  0.774308  0.433429  0.822191  1
  H  H78  1  0.744824  0.593302  0.293404  1
  H  H79  1  0.781141  0.577020  0.819044  1
  H  H80  1  0.757688  0.746373  0.279580  1
  H  H81  1  0.743969  0.742698  0.823653  1
  H  H82  1  0.767490  0.888181  0.281126  1
  H  H83  1  0.773757  0.884612  0.801733  1
  H  H84  1  0.949594  0.051968  0.348986  1
  H  H85  1  0.970450  0.048869  0.832683  1
  H  H86  1  0.876229  0.180938  0.319168  1
  H  H87  1  0.876434  0.178030  0.822816  1
  H  H88  1  0.901002  0.327937  0.315556  1
  H  H89  1  0.897229  0.325009  0.800543  1
  H  H90  1  0.935647  0.466372  0.282521  1
  H  H91  1  0.904350  0.479426  0.773054  1
  H  H92  1  0.894711  0.610059  0.282151  1
  H  H93  1  0.978908  0.600384  0.774394  1
  H  H94  1  0.901347  0.760694  0.281836  1
  H  H95  1  0.906063  0.791158  0.806056  1
  H  H96  1  0.910479  0.904255  0.312097  1
  H  H97  1  0.903636  0.913498  0.881308  1
  H  H98  1  0.065630  0.094008  0.254294  1
  H  H99  1  0.055409  0.092915  0.719119  1
  H  H100  1  0.108477  0.231516  0.200175  1
  H  H101  1  0.110239  0.222364  0.684071  1
  H  H102  1  0.140604  0.373658  0.156403  1
  H  H103  1  0.121589  0.366693  0.658897  1
  H  H104  1  0.076109  0.497294  0.085799  1
  H  H105  1  0.089914  0.533861  0.503205  1
  H  H106  1  0.087426  0.623232  0.148125  1
  H  H107  1  0.085415  0.639445  0.615066  1
  H  H108  1  0.107498  0.761153  0.186114  1
  H  H109  1  0.127975  0.823410  0.677161  1
  H  H110  1  0.117235  0.903493  0.212538  1
  H  H111  1  0.074145  0.949091  0.742773  1
  H  H112  1  0.207584  0.105705  0.208240  1
  H  H113  1  0.203961  0.097551  0.698932  1
  H  H114  1  0.250416  0.246529  0.173801  1
  H  H115  1  0.255053  0.236840  0.674175  1
  H  H116  1  0.283571  0.390320  0.145717  1
  H  H117  1  0.269719  0.387110  0.648940  1
  H  H118  1  0.205827  0.525236  0.138936  1
  H  H119  1  0.152284  0.507570  0.638244  1
  H  H120  1  0.227706  0.666151  0.178041  1
  H  H121  1  0.220663  0.606785  0.550235  1
  H  H122  1  0.248958  0.809513  0.207825  1
  H  H123  1  0.271512  0.813388  0.685099  1
  H  H124  1  0.257066  0.958107  0.202550  1
  H  H125  1  0.217767  0.950253  0.703994  1
  H  H126  1  0.346323  0.121768  0.175224  1
  H  H127  1  0.350562  0.117125  0.669821  1
  H  H128  1  0.392560  0.266238  0.144631  1
  H  H129  1  0.395143  0.263107  0.644812  1
  H  H130  1  0.423734  0.413845  0.164502  1
  H  H131  1  0.416153  0.408362  0.669034  1
  H  H132  1  0.348166  0.547292  0.165839  1
  H  H133  1  0.296941  0.540556  0.665054  1
  H  H134  1  0.371399  0.692739  0.186454  1
  H  H135  1  0.365422  0.684681  0.682585  1
  H  H136  1  0.388759  0.839551  0.185316  1
  H  H137  1  0.412245  0.827397  0.673287  1
  H  H138  1  0.402221  0.986349  0.168617  1
  H  H139  1  0.361969  0.970371  0.680656  1
  H  H140  1  0.480954  0.118022  0.124776  1
  H  H141  1  0.526140  0.068776  0.506825  1
  H  H142  1  0.536113  0.252369  0.155460  1
  H  H143  1  0.494189  0.142522  0.638453  1
  H  H144  1  0.566905  0.400299  0.165416  1
  H  H145  1  0.542323  0.288493  0.668388  1
  H  H146  1  0.496658  0.550227  0.182716  1
  H  H147  1  0.436891  0.553518  0.689961  1
  H  H148  1  0.515775  0.698999  0.182474  1
  H  H149  1  0.509455  0.706091  0.700039  1
  H  H150  1  0.534815  0.845751  0.171711  1
  H  H151  1  0.553932  0.839885  0.665125  1
  H  H152  1  0.557820  0.990733  0.151884  1
  H  H153  1  0.514899  0.995102  0.659950  1
  H  H154  1  0.623011  0.124901  0.154423  1
  H  H155  1  0.631027  0.072279  0.605528  1
  H  H156  1  0.682346  0.257197  0.181359  1
  H  H157  1  0.667062  0.205675  0.663189  1
  H  H158  1  0.717626  0.398268  0.178810  1
  H  H159  1  0.686952  0.345831  0.688668  1
  H  H160  1  0.645473  0.524189  0.206367  1
  H  H161  1  0.701910  0.490833  0.712466  1
  H  H162  1  0.662779  0.674682  0.186405  1
  H  H163  1  0.696861  0.648340  0.728276  1
  H  H164  1  0.681523  0.823996  0.168951  1
  H  H165  1  0.699087  0.803999  0.689762  1
  H  H166  1  0.707794  0.973174  0.169700  1
  H  H167  1  0.657197  0.930972  0.630785  1
  H  H168  1  0.765895  0.110773  0.184096  1
  H  H169  1  0.765592  0.092239  0.666575  1
  H  H170  1  0.822556  0.243397  0.196512  1
  H  H171  1  0.812762  0.239274  0.693442  1
  H  H172  1  0.860848  0.382878  0.183200  1
  H  H173  1  0.825310  0.392612  0.680464  1
  H  H174  1  0.807928  0.521240  0.185458  1
  H  H175  1  0.832722  0.550559  0.668702  1
  H  H176  1  0.811556  0.666065  0.170804  1
  H  H177  1  0.853475  0.674017  0.753729  1
  H  H178  1  0.830521  0.810518  0.159733  1
  H  H179  1  0.842735  0.813495  0.677376  1
  H  H180  1  0.855368  0.952411  0.177358  1
  H  H181  1  0.803561  0.953712  0.663799  1
  H  H182  1  0.914010  0.102885  0.204753  1
  H  H183  1  0.905744  0.096091  0.702599  1
  H  H184  1  0.964081  0.251930  0.193449  1
  H  H185  1  0.963700  0.236169  0.691322  1
  H  H186  1  0.997681  0.392912  0.150843  1
  H  H187  1  0.973413  0.385288  0.681361  1
  H  H188  1  0.952427  0.544245  0.157876  1
  H  H189  1  0.990360  0.529013  0.640949  1
  H  H190  1  0.953252  0.693431  0.158484  1
  H  H191  1  0.936923  0.674112  0.640554  1
  H  H192  1  0.975022  0.843830  0.170129  1
  H  H193  1  0.984219  0.819857  0.670074  1
  H  H194  1  0.995349  0.976151  0.225694  1
  H  H195  1  0.921150  0.931481  0.748192  1
  H  H196  1  0.964367  0.013788  0.097139  1
  H  H197  1  0.979067  0.984839  0.636522  1
  H  H198  1  0.025247  0.137976  0.113025  1
  H  H199  1  0.013135  0.120631  0.583183  1
  H  H200  1  0.050783  0.267382  0.064783  1
  H  H201  1  0.042147  0.261439  0.560494  1
  H  H202  1  0.063343  0.391507  -0.001986  1
  H  H203  1  0.032783  0.409053  0.550037  1
  H  H204  1  1.002484  0.626926  0.022673  1
  H  H205  1  0.968132  0.608358  0.508281  1
  H  H206  1  0.036176  0.763104  0.060777  1
  H  H207  1  0.022048  0.748977  0.540380  1
  H  H208  1  0.047551  0.907387  0.051637  1
  H  H209  1  0.058683  0.887291  0.559895  1
  H  H210  1  0.118826  0.015970  0.126765  1
  H  H211  1  0.117944  0.012185  0.607497  1
  H  H212  1  0.166047  0.152843  0.076958  1
  H  H213  1  0.156891  0.146163  0.554485  1
  H  H214  1  0.195417  0.292794  0.041576  1
  H  H215  1  0.194087  0.284940  0.556202  1
  H  H216  1  0.205977  0.436480  0.018623  1
  H  H217  1  0.172228  0.412455  0.505140  1
  H  H218  1  0.142260  0.572187  0.986062  1
  H  H219  1  0.207137  0.539897  0.414091  1
  H  H220  1  0.165140  0.703724  0.043870  1
  H  H221  1  0.171936  0.747518  0.555857  1
  H  H222  1  0.181324  0.850099  0.086353  1
  H  H223  1  0.206975  0.889481  0.566528  1
  H  H224  1  0.258671  0.034946  0.079070  1
  H  H225  1  0.257658  0.032554  0.572163  1
  H  H226  1  0.308424  0.177565  0.046169  1
  H  H227  1  0.306744  0.179174  0.543800  1
  H  H228  1  0.340024  0.324533  0.019501  1
  H  H229  1  0.338594  0.335062  0.524311  1
  H  H230  1  0.347789  0.470935  0.036797  1
  H  H231  1  0.294933  0.477444  0.534068  1
  H  H232  1  0.283161  0.605158  0.037573  1
  H  H233  1  0.371806  0.613582  0.553231  1
  H  H234  1  0.302703  0.750740  0.068936  1
  H  H235  1  0.319583  0.750384  0.556846  1
  H  H236  1  0.319752  0.899072  0.066563  1
  H  H237  1  0.347954  0.897719  0.555638  1
  H  H238  1  0.394488  0.048236  0.032247  1
  H  H239  1  0.396661  0.044767  0.549379  1
  H  H240  1  0.448231  0.203008  0.012654  1
  H  H241  1  0.445734  0.205509  0.517473  1
  H  H242  1  0.485814  0.343777  0.044749  1
  H  H243  1  0.484863  0.344404  0.544597  1
  H  H244  1  0.493293  0.487734  0.049681  1
  H  H245  1  0.440747  0.483047  0.547648  1
  H  H246  1  0.431247  0.625639  0.059716  1
  H  H247  1  0.518609  0.603916  0.577947  1
  H  H248  1  0.447229  0.773766  0.065205  1
  H  H249  1  0.471739  0.748361  0.556814  1
  H  H250  1  0.465702  0.917691  0.051529  1
  H  H251  1  0.490089  0.908483  0.544564  1
  H  H252  1  0.541828  0.031519  -0.007491  1
  H  H253  1  0.618118  0.953499  0.492907  1
  H  H254  1  0.588581  0.169734  0.021182  1
  H  H255  1  0.590441  0.205451  0.537377  1
  H  H256  1  0.629470  0.310508  0.052255  1
  H  H257  1  0.628798  0.343132  0.555268  1
  H  H258  1  0.646844  0.461650  0.060791  1
  H  H259  1  0.563236  0.443732  0.656054  1
  H  H260  1  0.579319  0.606424  0.076776  1
  H  H261  1  0.576712  0.577639  0.713334  1
  H  H262  1  0.595060  0.751880  0.067060  1
  H  H263  1  0.623243  0.703463  0.611677  1
  H  H264  1  0.612032  0.897385  0.047896  1
  H  H265  1  0.607970  0.812994  0.527089  1
  H  H266  1  0.679422  0.033440  0.040542  1
  H  H267  1  0.744566  0.004638  0.532460  1
  H  H268  1  0.733082  0.173648  0.055338  1
  H  H269  1  0.739091  0.158283  0.540199  1
  H  H270  1  0.774401  0.311003  0.068422  1
  H  H271  1  0.762668  0.298812  0.561570  1
  H  H272  1  0.803350  0.452271  0.058771  1
  H  H273  1  0.746427  0.445361  0.565981  1
  H  H274  1  0.721549  0.586078  0.081277  1
  H  H275  1  0.684266  0.571009  0.595960  1
  H  H276  1  0.740032  0.734336  0.058366  1
  H  H277  1  0.780161  0.696625  0.628609  1
  H  H278  1  0.754688  0.886493  0.054676  1
  H  H279  1  0.756358  0.854680  0.543700  1
  H  H280  1  0.822897  0.042862  0.070575  1
  H  H281  1  0.875463  0.047819  0.558850  1
  H  H282  1  0.882569  0.181132  0.076943  1
  H  H283  1  0.878322  0.189959  0.575327  1
  H  H284  1  0.917399  0.325741  0.051475  1
  H  H285  1  0.903518  0.330175  0.568080  1
  H  H286  1  0.947083  0.473939  0.024450  1
  H  H287  1  0.894751  0.474269  0.547447  1
  H  H288  1  0.861586  0.593354  0.049278  1
  H  H289  1  0.826242  0.603839  0.535328  1
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  H  H291  1  0.875613  0.748869  0.525601  1
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  H  H294  1  0.995581  0.999993  0.484877  1
  H  H295  1  0.928913  0.021387  0.966201  1
  H  H296  1  0.945370  0.147484  0.456266  1
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  H  H298  1  0.962020  0.289119  0.442120  1
  H  H299  1  0.982332  0.290391  0.922730  1
  H  H300  1  0.986211  0.427111  0.417970  1
  H  H301  1  0.986841  0.422590  0.874570  1
  H  H302  1  0.026481  0.560258  0.369421  1
  H  H303  1  0.028023  0.553399  0.901482  1
  H  H304  1  0.967411  0.709104  0.403099  1
  H  H305  1  0.927151  0.675432  0.893185  1
  H  H306  1  0.969063  0.854317  0.438610  1
  H  H307  1  0.973777  0.804967  0.941560  1
  H  H308  1  0.147444  0.978276  0.466713  1
  H  H309  1  0.173250  0.955324  0.986356  1
  H  H310  1  0.084136  0.110313  0.429108  1
  H  H311  1  0.106385  0.188507  0.949891  1
  H  H312  1  0.108558  0.291791  0.427369  1
  H  H313  1  0.138096  0.315740  0.905178  1
  H  H314  1  0.122377  0.435314  0.369336  1
  H  H315  1  0.135071  0.455304  0.882603  1
  H  H316  1  0.150429  0.594622  0.291660  1
  H  H317  1  0.146109  0.596695  0.800029  1
  H  H318  1  0.108268  0.668459  0.439090  1
  H  H319  1  0.074929  0.692409  0.895755  1
  H  H320  1  0.113026  0.822684  0.438884  1
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  H  H322  1  0.289196  0.967902  0.435544  1
  H  H323  1  0.303815  0.967088  0.937920  1
  H  H324  1  0.241224  0.106577  0.434419  1
  H  H325  1  0.225563  0.095182  0.944054  1
  H  H326  1  0.255117  0.257111  0.424935  1
  H  H327  1  0.262187  0.236884  0.919335  1
  H  H328  1  0.280988  0.402260  0.397221  1
  H  H329  1  0.281104  0.383113  0.895664  1
  H  H330  1  0.351889  0.544587  0.419318  1
  H  H331  1  0.256894  0.527025  0.907389  1
  H  H332  1  0.257301  0.676100  0.431156  1
  H  H333  1  0.226128  0.673646  0.910886  1
  H  H334  1  0.260101  0.821523  0.442551  1
  H  H335  1  0.260515  0.817202  0.940798  1
  H  H336  1  0.430718  0.974643  0.419161  1
  H  H337  1  0.436723  0.982930  0.901404  1
  H  H338  1  0.388636  0.118114  0.412859  1
  H  H339  1  0.373593  0.119454  0.909626  1
  H  H340  1  0.401973  0.273356  0.396643  1
  H  H341  1  0.404956  0.268159  0.891658  1
  H  H342  1  0.434782  0.417823  0.416601  1
  H  H343  1  0.430778  0.410649  0.921430  1
  H  H344  1  0.497109  0.563589  0.424199  1
  H  H345  1  0.393429  0.552121  0.924605  1
  H  H346  1  0.403265  0.684331  0.430112  1
  H  H347  1  0.370230  0.695308  0.940914  1
  H  H348  1  0.407096  0.827788  0.438812  1
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  H  H350  1  0.558952  0.014870  0.375893  1
  H  H351  1  0.563755  1.001051  0.839905  1
  H  H352  1  0.526502  0.170045  0.397191  1
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  H  H354  1  0.551636  0.326646  0.415249  1
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  H  H358  1  0.620875  0.614001  0.479016  1
  H  H359  1  0.530790  0.577650  0.936480  1
  H  H360  1  0.542498  0.721930  0.423740  1
  H  H361  1  0.516843  0.722865  0.947159  1
  H  H362  1  0.541314  0.867174  0.398784  1
  H  H363  1  0.537676  0.872273  0.924214  1
  H  H364  1  0.713817  0.975292  0.386472  1
  H  H365  1  0.670397  0.932087  0.909105  1
  H  H366  1  0.657421  0.101682  0.436759  1
  H  H367  1  0.666868  0.080550  0.903750  1
  H  H368  1  0.674622  0.247536  0.426194  1
  H  H369  1  0.684921  0.223368  0.924200  1
  H  H370  1  0.695022  0.391346  0.431265  1
  H  H371  1  0.707847  0.367313  0.941277  1
  H  H372  1  0.743559  0.535840  0.446093  1
  H  H373  1  0.732667  0.514809  0.948441  1
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  H  H375  1  0.654437  0.645354  0.958005  1
  H  H376  1  0.683188  0.832279  0.402095  1
  H  H377  1  0.663774  0.790230  0.939215  1
  H  H378  1  0.853403  0.956692  0.437157  1
  H  H379  1  0.793813  0.971552  0.947174  1
  H  H380  1  0.809379  0.096627  0.427567  1
  H  H381  1  0.808898  0.114742  0.938328  1
  H  H382  1  0.821018  0.245201  0.438377  1
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  H  H384  1  0.838874  0.391497  0.439797  1
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  H  H386  1  0.883456  0.533695  0.406844  1
  H  H387  1  0.881291  0.536949  0.911143  1
  H  H388  1  0.824762  0.668483  0.399670  1
  H  H389  1  0.792737  0.662304  0.938626  1
  H  H390  1  0.825797  0.815259  0.404808  1
  H  H391  1  0.812417  0.812774  0.934556  1
