# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01742778
_cell_length_b   24.27650062
_cell_length_c   47.41926181
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.99698776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H324
_cell_volume   6926.05614652
_cell_formula_units_Z   162
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  0.597866  0.198335  0.284481  1
  H  H2  1  0.675005  0.883397  0.318442  1
  H  H3  1  0.645596  0.542988  0.299483  1
  H  H4  1  0.931200  0.865001  0.284481  1
  H  H5  1  0.008338  0.550064  0.318442  1
  H  H6  1  0.264533  0.531668  0.284481  1
  H  H7  1  0.978929  0.209655  0.299483  1
  H  H8  1  0.341671  0.216731  0.318442  1
  H  H9  1  0.312263  0.876322  0.299483  1
  H  H10  1  0.595673  0.383134  0.319383  1
  H  H11  1  0.571018  0.043751  0.300978  1
  H  H12  1  0.529680  0.700570  0.285748  1
  H  H13  1  0.929007  0.049801  0.319383  1
  H  H14  1  0.904351  0.710418  0.300978  1
  H  H15  1  0.262340  0.716467  0.319383  1
  H  H16  1  0.863013  0.367237  0.285748  1
  H  H17  1  0.237684  0.377085  0.300978  1
  H  H18  1  0.196346  0.033904  0.285748  1
  H  H19  1  0.507248  0.450081  0.286814  1
  H  H20  1  0.566502  0.133604  0.320448  1
  H  H21  1  0.550326  0.795094  0.301400  1
  H  H22  1  0.840581  0.116748  0.286814  1
  H  H23  1  0.899835  0.800271  0.320448  1
  H  H24  1  0.173915  0.783415  0.286814  1
  H  H25  1  0.883660  0.461761  0.301400  1
  H  H26  1  0.233168  0.466937  0.320448  1
  H  H27  1  0.216993  0.128427  0.301400  1
  H  H28  1  0.610013  0.292400  0.300566  1
  H  H29  1  0.570816  0.949547  0.285165  1
  H  H30  1  0.634565  0.633493  0.318505  1
  H  H31  1  0.943346  0.959067  0.300566  1
  H  H32  1  0.904149  0.616214  0.285165  1
  H  H33  1  0.276680  0.625733  0.300566  1
  H  H34  1  0.967898  0.300160  0.318505  1
  H  H35  1  0.237482  0.282881  0.285165  1
  H  H36  1  0.301231  0.966826  0.318505  1
  H  H37  1  0.707711  0.223853  0.333226  1
  H  H38  1  0.763033  0.905991  0.365741  1
  H  H39  1  0.733076  0.564917  0.349728  1
  H  H40  1  0.041044  0.890520  0.333226  1
  H  H41  1  0.096366  0.572657  0.365741  1
  H  H42  1  0.374378  0.557187  0.333226  1
  H  H43  1  0.066410  0.231584  0.349728  1
  H  H44  1  0.429699  0.239324  0.365741  1
  H  H45  1  0.399743  0.898251  0.349728  1
  H  H46  1  0.680659  0.406595  0.366942  1
  H  H47  1  0.651975  0.065158  0.351106  1
  H  H48  1  0.625592  0.725228  0.334402  1
  H  H49  1  0.013993  0.073262  0.366942  1
  H  H50  1  0.985308  0.731825  0.351106  1
  H  H51  1  0.347326  0.739929  0.366942  1
  H  H52  1  0.958925  0.391894  0.334402  1
  H  H53  1  0.318641  0.398492  0.351106  1
  H  H54  1  0.292259  0.058561  0.334402  1
  H  H55  1  0.596051  0.475388  0.334963  1
  H  H56  1  0.644396  0.157020  0.367704  1
  H  H57  1  0.616554  0.815737  0.351863  1
  H  H58  1  0.929384  0.142055  0.334963  1
  H  H59  1  0.977730  0.823687  0.367704  1
  H  H60  1  0.262718  0.808721  0.334963  1
  H  H61  1  0.949888  0.482404  0.351863  1
  H  H62  1  0.311063  0.490354  0.367704  1
  H  H63  1  0.283221  0.149070  0.351863  1
  H  H64  1  0.690383  0.314807  0.350321  1
  H  H65  1  0.664347  0.974959  0.333839  1
  H  H66  1  0.718710  0.656565  0.366249  1
  H  H67  1  0.023716  0.981473  0.350321  1
  H  H68  1  0.997680  0.641626  0.333839  1
  H  H69  1  0.357050  0.648140  0.350321  1
  H  H70  1  0.052044  0.323232  0.366249  1
  H  H71  1  0.331014  0.308293  0.333839  1
  H  H72  1  0.385377  0.989898  0.366249  1
  H  H73  1  0.789735  0.246810  0.381896  1
  H  H74  1  0.843881  0.928784  0.414136  1
  H  H75  1  0.816936  0.587898  0.397921  1
  H  H76  1  0.123068  0.913476  0.381896  1
  H  H77  1  0.177215  0.595450  0.414136  1
  H  H78  1  0.456402  0.580143  0.381896  1
  H  H79  1  0.150270  0.254565  0.397921  1
  H  H80  1  0.510548  0.262117  0.414136  1
  H  H81  1  0.483603  0.921231  0.397921  1
  H  H82  1  0.761872  0.429469  0.415295  1
  H  H83  1  0.735017  0.088395  0.399206  1
  H  H84  1  0.707632  0.747460  0.383126  1
  H  H85  1  0.095206  0.096136  0.415295  1
  H  H86  1  0.068351  0.755061  0.399206  1
  H  H87  1  0.428539  0.762802  0.415295  1
  H  H88  1  0.040965  0.414127  0.383126  1
  H  H89  1  0.401684  0.421728  0.399206  1
  H  H90  1  0.374298  0.080793  0.383126  1
  H  H91  1  0.668272  0.497878  0.383772  1
  H  H92  1  0.720010  0.179885  0.415909  1
  H  H93  1  0.694369  0.838946  0.399856  1
  H  H94  1  1.001605  0.164545  0.383772  1
  H  H95  1  0.053344  0.846551  0.415909  1
  H  H96  1  0.334938  0.831212  0.383772  1
  H  H97  1  0.027702  0.505613  0.399856  1
  H  H98  1  0.386677  0.513218  0.415909  1
  H  H99  1  0.361035  0.172280  0.399856  1
  H  H100  1  0.772928  0.338204  0.398559  1
  H  H101  1  0.745735  0.997051  0.382497  1
  H  H102  1  0.799798  0.679135  0.414718  1
  H  H103  1  0.106262  1.004871  0.398559  1
  H  H104  1  0.079069  0.663717  0.382497  1
  H  H105  1  0.439595  0.671537  0.398559  1
  H  H106  1  0.133131  0.345802  0.414718  1
  H  H107  1  0.412402  0.330384  0.382497  1
  H  H108  1  0.466465  0.012468  0.414718  1
  H  H109  1  0.870712  0.269825  0.430217  1
  H  H110  1  0.924070  0.951784  0.462457  1
  H  H111  1  0.897382  0.610791  0.446333  1
  H  H112  1  0.204045  0.936492  0.430217  1
  H  H113  1  0.257403  0.618451  0.462457  1
  H  H114  1  0.537379  0.603158  0.430217  1
  H  H115  1  0.230715  0.277458  0.446333  1
  H  H116  1  0.590736  0.285118  0.462457  1
  H  H117  1  0.564049  0.944124  0.446333  1
  H  H118  1  0.842119  0.452501  0.463555  1
  H  H119  1  0.815465  0.111470  0.447472  1
  H  H120  1  0.788740  0.770457  0.431383  1
  H  H121  1  0.175452  0.119167  0.463555  1
  H  H122  1  0.148798  0.778136  0.447472  1
  H  H123  1  0.508786  0.785834  0.463555  1
  H  H124  1  0.122073  0.437123  0.431383  1
  H  H125  1  0.482131  0.444803  0.447472  1
  H  H126  1  0.455406  0.103790  0.431383  1
  H  H127  1  0.746187  0.520934  0.431967  1
  H  H128  1  0.798780  0.202875  0.464152  1
  H  H129  1  0.772413  0.861869  0.448086  1
  H  H130  1  0.079520  0.187601  0.431967  1
  H  H131  1  0.132114  0.869541  0.464152  1
  H  H132  1  0.412854  0.854268  0.431967  1
  H  H133  1  0.105746  0.528535  0.448086  1
  H  H134  1  0.465447  0.536208  0.464152  1
  H  H135  1  0.439080  0.195202  0.448086  1
  H  H136  1  0.853415  0.361146  0.446945  1
  H  H137  1  0.826735  0.020114  0.430841  1
  H  H138  1  0.880126  0.702145  0.463048  1
  H  H139  1  0.186748  0.027813  0.446945  1
  H  H140  1  0.160069  0.686780  0.430841  1
  H  H141  1  0.520081  0.694480  0.446945  1
  H  H142  1  0.213459  0.368812  0.463048  1
  H  H143  1  0.493402  0.353447  0.430841  1
  H  H144  1  0.546793  0.035478  0.463048  1
  H  H145  1  0.950640  0.292798  0.478553  1
  H  H146  1  1.003647  0.974786  0.510750  1
  H  H147  1  0.977146  0.633799  0.494646  1
  H  H148  1  0.283973  0.959464  0.478553  1
  H  H149  1  0.336980  0.641453  0.510750  1
  H  H150  1  0.617306  0.626131  0.478553  1
  H  H151  1  0.310479  0.300465  0.494646  1
  H  H152  1  0.670313  0.308120  0.510750  1
  H  H153  1  0.643812  0.967132  0.494646  1
  H  H154  1  0.922033  0.475511  0.511842  1
  H  H155  1  0.895408  0.134494  0.495750  1
  H  H156  1  0.868788  0.793484  0.479655  1
  H  H157  1  0.255367  0.142178  0.511842  1
  H  H158  1  0.228741  0.801160  0.495750  1
  H  H159  1  0.588700  0.808845  0.511842  1
  H  H160  1  0.202121  0.460151  0.479655  1
  H  H161  1  0.562075  0.467827  0.495750  1
  H  H162  1  0.535455  0.126817  0.479655  1
  H  H163  1  0.825150  0.543877  0.480247  1
  H  H164  1  0.878157  0.225866  0.512444  1
  H  H165  1  0.851651  0.884865  0.496350  1
  H  H166  1  0.158484  0.210544  0.480247  1
  H  H167  1  0.211491  0.892533  0.512444  1
  H  H168  1  0.491817  0.877211  0.480247  1
  H  H169  1  0.184985  0.551531  0.496350  1
  H  H170  1  0.544824  0.559199  0.512444  1
  H  H171  1  0.518318  0.218198  0.496350  1
  H  H172  1  0.933389  0.384170  0.495246  1
  H  H173  1  0.906763  0.043152  0.479155  1
  H  H174  1  0.960009  0.725180  0.511342  1
  H  H175  1  0.266722  0.050837  0.495246  1
  H  H176  1  0.240097  0.709819  0.479155  1
  H  H177  1  0.600055  0.717503  0.495246  1
  H  H178  1  0.293342  0.391846  0.511342  1
  H  H179  1  0.573430  0.376486  0.479155  1
  H  H180  1  0.626675  0.058513  0.511342  1
  H  H181  1  0.030016  0.315789  0.526844  1
  H  H182  1  0.082610  0.997729  0.559029  1
  H  H183  1  0.056384  0.656795  0.542910  1
  H  H184  1  0.363350  0.982456  0.526844  1
  H  H185  1  0.415943  0.664396  0.559029  1
  H  H186  1  0.696683  0.649122  0.526844  1
  H  H187  1  0.389717  0.323462  0.542910  1
  H  H188  1  0.749277  0.331063  0.559029  1
  H  H189  1  0.723050  0.990128  0.542910  1
  H  H190  1  1.002061  0.498550  0.560156  1
  H  H191  1  0.975382  0.157517  0.544052  1
  H  H192  1  0.948671  0.816519  0.527948  1
  H  H193  1  0.335395  0.165216  0.560156  1
  H  H194  1  0.308716  0.824184  0.544052  1
  H  H195  1  0.668728  0.831883  0.560156  1
  H  H196  1  0.282004  0.483185  0.527948  1
  H  H197  1  0.642049  0.490851  0.544052  1
  H  H198  1  0.615338  0.149852  0.527948  1
  H  H199  1  0.904727  0.566879  0.528539  1
  H  H200  1  0.958085  0.248839  0.560779  1
  H  H201  1  0.931415  0.907873  0.544664  1
  H  H202  1  0.238060  0.233546  0.528539  1
  H  H203  1  0.291418  0.915505  0.560779  1
  H  H204  1  0.571394  0.900213  0.528539  1
  H  H205  1  0.264748  0.574539  0.544664  1
  H  H206  1  0.624752  0.582172  0.560779  1
  H  H207  1  0.598082  0.241206  0.544664  1
  H  H208  1  0.013332  0.407194  0.543525  1
  H  H209  1  0.986678  0.066163  0.527441  1
  H  H210  1  0.040057  0.748207  0.559613  1
  H  H211  1  0.346665  0.073861  0.543525  1
  H  H212  1  0.320011  0.732830  0.527441  1
  H  H213  1  0.679999  0.740527  0.543525  1
  H  H214  1  0.373390  0.414874  0.559613  1
  H  H215  1  0.653344  0.399496  0.527441  1
  H  H216  1  0.706724  0.081540  0.559613  1
  H  H217  1  0.108786  0.338779  0.575087  1
  H  H218  1  0.160525  0.020785  0.607225  1
  H  H219  1  0.134428  0.679717  0.591141  1
  H  H220  1  0.442120  1.005445  0.575087  1
  H  H221  1  0.493859  0.687452  0.607225  1
  H  H222  1  0.775453  0.672112  0.575087  1
  H  H223  1  0.467762  0.346384  0.591141  1
  H  H224  1  0.827192  0.354119  0.607225  1
  H  H225  1  0.801095  0.013051  0.591141  1
  H  H226  1  0.083061  0.521613  0.608500  1
  H  H227  1  0.055868  0.180460  0.592437  1
  H  H228  1  0.028999  0.839529  0.576278  1
  H  H229  1  0.416395  0.188280  0.608500  1
  H  H230  1  0.389202  0.847126  0.592437  1
  H  H231  1  0.749728  0.854946  0.608500  1
  H  H232  1  0.362332  0.506195  0.576278  1
  H  H233  1  0.722535  0.513793  0.592437  1
  H  H234  1  0.695666  0.172862  0.576278  1
  H  H235  1  0.984916  0.589880  0.576861  1
  H  H236  1  0.039062  0.271854  0.609101  1
  H  H237  1  0.011860  0.930766  0.593076  1
  H  H238  1  0.318249  0.256547  0.576861  1
  H  H239  1  0.372395  0.938521  0.609101  1
  H  H240  1  0.651582  0.923213  0.576861  1
  H  H241  1  0.345194  0.597432  0.593076  1
  H  H242  1  0.705729  0.605187  0.609101  1
  H  H243  1  0.678527  0.264099  0.593076  1
  H  H244  1  0.093779  0.430269  0.591790  1
  H  H245  1  0.066924  0.089195  0.575702  1
  H  H246  1  0.121165  0.771204  0.607870  1
  H  H247  1  0.427113  0.096936  0.591790  1
  H  H248  1  0.400258  0.755861  0.575702  1
  H  H249  1  0.760446  0.763602  0.591790  1
  H  H250  1  0.454498  0.437870  0.607870  1
  H  H251  1  0.733591  0.422528  0.575702  1
  H  H252  1  0.787832  0.104537  0.607870  1
  H  H253  1  0.184401  0.361643  0.623292  1
  H  H254  1  0.232746  0.043276  0.656034  1
  H  H255  1  0.212242  0.702927  0.639133  1
  H  H256  1  0.517734  0.028310  0.623292  1
  H  H257  1  0.566079  0.709942  0.656034  1
  H  H258  1  0.851067  0.694977  0.623292  1
  H  H259  1  0.545576  0.369593  0.639133  1
  H  H260  1  0.899413  0.376609  0.656034  1
  H  H261  1  0.878909  0.036260  0.639133  1
  H  H262  1  0.164450  0.543704  0.657157  1
  H  H263  1  0.138414  0.203857  0.640675  1
  H  H264  1  0.110087  0.862099  0.624747  1
  H  H265  1  0.497783  0.210371  0.657157  1
  H  H266  1  0.471747  0.870524  0.640675  1
  H  H267  1  0.831117  0.877038  0.657157  1
  H  H268  1  0.443420  0.528765  0.624747  1
  H  H269  1  0.805081  0.537190  0.640675  1
  H  H270  1  0.776753  0.195432  0.624747  1
  H  H271  1  0.065764  0.612673  0.625256  1
  H  H272  1  0.121086  0.294810  0.657771  1
  H  H273  1  0.095720  0.953746  0.641269  1
  H  H274  1  0.399098  0.279340  0.625256  1
  H  H275  1  0.454419  0.961477  0.657771  1
  H  H276  1  0.732431  0.946006  0.625256  1
  H  H277  1  0.429054  0.620413  0.641269  1
  H  H278  1  0.787752  0.628144  0.657771  1
  H  H279  1  0.762387  0.287080  0.641269  1
  H  H280  1  0.176822  0.453505  0.639890  1
  H  H281  1  0.148138  0.112068  0.624055  1
  H  H282  1  0.203205  0.793436  0.656595  1
  H  H283  1  0.510156  0.120172  0.639890  1
  H  H284  1  0.481471  0.778735  0.624055  1
  H  H285  1  0.843489  0.786839  0.639890  1
  H  H286  1  0.536538  0.460102  0.656595  1
  H  H287  1  0.814804  0.445401  0.624055  1
  H  H288  1  0.869872  0.126769  0.656595  1
  H  H289  1  0.262295  0.385060  0.670548  1
  H  H290  1  0.321549  0.068582  0.704183  1
  H  H291  1  0.278471  0.723569  0.689597  1
  H  H292  1  0.595628  0.051726  0.670548  1
  H  H293  1  0.654882  0.735249  0.704183  1
  H  H294  1  0.928962  0.718393  0.670548  1
  H  H295  1  0.611804  0.390236  0.689597  1
  H  H296  1  0.988215  0.401916  0.704183  1
  H  H297  1  0.945137  0.056903  0.689597  1
  H  H298  1  0.257981  0.569116  0.705831  1
  H  H299  1  0.218784  0.226264  0.690430  1
  H  H300  1  0.194232  0.885171  0.672491  1
  H  H301  1  0.591314  0.235783  0.705831  1
  H  H302  1  0.552117  0.892930  0.690430  1
  H  H303  1  0.924648  0.902450  0.705831  1
  H  H304  1  0.527566  0.551837  0.672491  1
  H  H305  1  0.885450  0.559597  0.690430  1
  H  H306  1  0.860899  0.218504  0.672491  1
  H  H307  1  0.153792  0.635266  0.672554  1
  H  H308  1  0.230930  0.320329  0.706516  1
  H  H309  1  0.183201  0.975675  0.691513  1
  H  H310  1  0.487125  0.301933  0.672554  1
  H  H311  1  0.564264  0.986996  0.706516  1
  H  H312  1  0.820459  0.968599  0.672554  1
  H  H313  1  0.516534  0.642342  0.691513  1
  H  H314  1  0.897597  0.653662  0.706516  1
  H  H315  1  0.849868  0.309009  0.691513  1
  H  H316  1  0.257779  0.474912  0.690019  1
  H  H317  1  0.233123  0.135530  0.671614  1
  H  H318  1  0.299117  0.818093  0.705248  1
  H  H319  1  0.591112  0.141579  0.690019  1
  H  H320  1  0.566457  0.802196  0.671614  1
  H  H321  1  0.924446  0.808246  0.690019  1
  H  H322  1  0.632450  0.484760  0.705248  1
  H  H323  1  0.899790  0.468863  0.671614  1
  H  H324  1  0.965784  0.151427  0.705248  1
