# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.93494395
_cell_length_b   10.27357953
_cell_length_c   37.38660818
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.22398904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   5348.30082754
_cell_formula_units_Z   126
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  0.333703  0.418425  0.422786  1
  H  H2  1  0.155058  0.085578  0.415125  1
  H  H3  1  1.009224  0.405611  0.428137  1
  H  H4  1  0.993477  0.002755  0.418874  1
  H  H5  1  0.852798  0.314854  0.432445  1
  H  H6  1  0.829310  -0.072864  0.422827  1
  H  H7  1  0.689260  0.379295  0.434378  1
  H  H8  1  0.665206  -0.010779  0.424456  1
  H  H9  1  0.653422  0.589242  0.415101  1
  H  H10  1  0.486158  0.101834  0.410402  1
  H  H11  1  0.511887  -0.108504  0.429299  1
  H  H12  1  0.491077  0.505722  0.418856  1
  H  H13  1  0.318950  0.025553  0.412877  1
  H  H14  1  0.298402  0.633085  0.403873  1
  H  H15  1  0.190314  -0.125449  0.433996  1
  H  H16  1  0.171353  0.485262  0.424975  1
  H  H17  1  1.030957  0.795223  0.438078  1
  H  H18  1  0.819081  0.526599  0.413282  1
  H  H19  1  0.387059  0.616047  0.455850  1
  H  H20  1  0.207725  0.275557  0.444809  1
  H  H21  1  0.063736  0.595710  0.460064  1
  H  H22  1  0.045197  0.199577  0.449138  1
  H  H23  1  0.906008  0.515563  0.465419  1
  H  H24  1  0.886607  0.115253  0.454117  1
  H  H25  1  0.744483  0.573500  0.467499  1
  H  H26  1  0.725148  0.173611  0.454824  1
  H  H27  1  0.705580  0.778938  0.444972  1
  H  H28  1  0.531496  0.297840  0.439329  1
  H  H29  1  0.567296  0.095007  0.463341  1
  H  H30  1  0.545250  0.694112  0.451081  1
  H  H31  1  0.370631  0.216401  0.443586  1
  H  H32  1  0.353988  0.819924  0.434103  1
  H  H33  1  0.246230  0.070344  0.467288  1
  H  H34  1  0.223850  0.674355  0.457635  1
  H  H35  1  0.086502  -0.006099  0.470392  1
  H  H36  1  0.870159  0.719500  0.442819  1
  H  H37  1  0.444216  0.811598  0.486245  1
  H  H38  1  0.263840  0.469894  0.477170  1
  H  H39  1  0.121203  0.791828  0.491229  1
  H  H40  1  0.103951  0.392694  0.480512  1
  H  H41  1  0.962180  0.711125  0.495325  1
  H  H42  1  0.944230  0.312632  0.485043  1
  H  H43  1  0.800446  0.767678  0.497112  1
  H  H44  1  0.782088  0.368716  0.486689  1
  H  H45  1  0.761762  -0.029854  0.477454  1
  H  H46  1  0.586032  0.492247  0.471076  1
  H  H47  1  0.623934  0.289885  0.491488  1
  H  H48  1  0.603461  -0.109131  0.481655  1
  H  H49  1  0.426688  0.412883  0.474847  1
  H  H50  1  0.409201  0.013773  0.465285  1
  H  H51  1  0.300771  0.267175  0.497151  1
  H  H52  1  0.281847  -0.131620  0.487504  1
  H  H53  1  0.141041  0.189159  0.500485  1
  H  H54  1  0.926424  -0.087144  0.474453  1
  H  H55  1  0.500830  0.006488  0.516709  1
  H  H56  1  0.319295  0.666456  0.508757  1
  H  H57  1  0.178615  -0.013970  0.521879  1
  H  H58  1  0.159334  0.587169  0.511583  1
  H  H59  1  1.018817  -0.093659  0.525884  1
  H  H60  1  1.000665  0.507198  0.515800  1
  H  H61  1  0.857086  -0.036656  0.528021  1
  H  H62  1  0.838013  0.565301  0.518525  1
  H  H63  1  0.819268  0.166713  0.507492  1
  H  H64  1  0.641349  0.688266  0.501642  1
  H  H65  1  0.679312  0.484479  0.522175  1
  H  H66  1  0.661828  0.086499  0.512658  1
  H  H67  1  0.482270  0.607372  0.506168  1
  H  H68  1  0.462580  0.210931  0.495505  1
  H  H69  1  0.357419  0.462639  0.528376  1
  H  H70  1  0.338889  0.064567  0.518408  1
  H  H71  1  0.197437  0.383934  0.531913  1
  H  H72  1  0.981954  0.108671  0.504913  1
  H  H73  1  0.556899  0.201193  0.546498  1
  H  H74  1  0.375518  0.861998  0.539283  1
  H  H75  1  0.234291  0.180938  0.552330  1
  H  H76  1  0.215331  0.782480  0.542512  1
  H  H77  1  0.075190  0.100994  0.556469  1
  H  H78  1  0.056068  0.702470  0.546361  1
  H  H79  1  0.913469  0.158632  0.558788  1
  H  H80  1  0.893874  0.760673  0.548785  1
  H  H81  1  0.875665  0.362078  0.538438  1
  H  H82  1  0.697975  -0.117446  0.532645  1
  H  H83  1  0.734814  0.679882  0.553003  1
  H  H84  1  0.716970  0.281536  0.542740  1
  H  H85  1  0.538474  0.802866  0.536865  1
  H  H86  1  0.519775  0.404302  0.526160  1
  H  H87  1  0.413784  0.658383  0.559684  1
  H  H88  1  0.394375  0.259694  0.549048  1
  H  H89  1  0.253496  0.578863  0.563048  1
  H  H90  1  0.038331  0.303701  0.535893  1
  H  H91  1  0.613126  0.396012  0.577455  1
  H  H92  1  0.432201  0.057047  0.569976  1
  H  H93  1  0.290802  0.375852  0.583464  1
  H  H94  1  0.271694  -0.022175  0.573318  1
  H  H95  1  0.131513  0.295895  0.587431  1
  H  H96  1  0.112228  -0.102379  0.577120  1
  H  H97  1  0.969660  0.353656  0.589782  1
  H  H98  1  0.950298  -0.044342  0.579611  1
  H  H99  1  0.931990  0.557259  0.569399  1
  H  H100  1  0.754899  0.078016  0.563459  1
  H  H101  1  0.791399  -0.125024  0.583936  1
  H  H102  1  0.772480  0.476517  0.573564  1
  H  H103  1  0.594914  -0.001814  0.567550  1
  H  H104  1  0.575964  0.599465  0.557186  1
  H  H105  1  0.469982  0.853688  0.590510  1
  H  H106  1  0.451007  0.454793  0.579875  1
  H  H107  1  0.309478  0.774066  0.593912  1
  H  H108  1  0.094167  0.498997  0.566921  1
  H  H109  1  0.669444  0.591508  0.608526  1
  H  H110  1  0.488643  0.251539  0.600421  1
  H  H111  1  0.347304  0.570859  0.614457  1
  H  H112  1  0.327839  0.172695  0.603961  1
  H  H113  1  0.187611  0.490984  0.618293  1
  H  H114  1  0.168472  0.092795  0.607988  1
  H  H115  1  1.025542  0.548961  0.620643  1
  H  H116  1  1.006859  0.150614  0.610379  1
  H  H117  1  0.987812  0.752405  0.600131  1
  H  H118  1  0.810468  0.273152  0.594034  1
  H  H119  1  0.847845  0.070146  0.614754  1
  H  H120  1  0.828654  0.671720  0.604297  1
  H  H121  1  0.650687  0.192925  0.597920  1
  H  H122  1  0.632100  0.794874  0.588099  1
  H  H123  1  0.526199  0.048566  0.621175  1
  H  H124  1  0.507484  0.650335  0.611014  1
  H  H125  1  0.365453  -0.030821  0.624579  1
  H  H126  1  0.149825  0.694185  0.597686  1
  H  H127  1  0.725965  0.786656  0.639438  1
  H  H128  1  0.544768  0.446770  0.631249  1
  H  H129  1  0.403275  0.765982  0.645320  1
  H  H130  1  0.384635  0.367395  0.634763  1
  H  H131  1  0.243417  0.685970  0.649106  1
  H  H132  1  0.224987  0.287688  0.638886  1
  H  H133  1  0.081434  0.744311  0.651489  1
  H  H134  1  0.063230  0.345856  0.641345  1
  H  H135  1  0.043993  -0.052512  0.630934  1
  H  H136  1  0.866225  0.468357  0.624695  1
  H  H137  1  0.903984  0.265032  0.645369  1
  H  H138  1  0.885052  -0.133139  0.635284  1
  H  H139  1  0.706785  0.387968  0.628797  1
  H  H140  1  0.688364  -0.009969  0.618864  1
  H  H141  1  0.582210  0.243647  0.651931  1
  H  H142  1  0.563810  0.845454  0.641903  1
  H  H143  1  0.421691  0.164158  0.655267  1
  H  H144  1  0.205836  -0.110724  0.628420  1
  H  H145  1  0.781943  -0.018408  0.670217  1
  H  H146  1  0.601372  0.642200  0.662342  1
  H  H147  1  0.458824  -0.038901  0.675776  1
  H  H148  1  0.441141  0.562584  0.665773  1
  H  H149  1  0.299087  -0.118989  0.679781  1
  H  H150  1  0.281484  0.482326  0.669526  1
  H  H151  1  0.137276  -0.060662  0.682230  1
  H  H152  1  0.119038  0.541191  0.671972  1
  H  H153  1  0.100345  0.142912  0.661895  1
  H  H154  1  0.922429  0.663786  0.655630  1
  H  H155  1  0.959479  0.460437  0.675884  1
  H  H156  1  0.941377  0.061841  0.666037  1
  H  H157  1  0.763478  0.583173  0.659857  1
  H  H158  1  0.744190  0.184861  0.649477  1
  H  H159  1  0.638305  0.438592  0.682535  1
  H  H160  1  0.619551  0.040497  0.672533  1
  H  H161  1  0.477731  0.359381  0.686107  1
  H  H162  1  0.262349  0.084321  0.659330  1
  H  H163  1  0.838185  0.176311  0.700829  1
  H  H164  1  0.657553  0.837107  0.693231  1
  H  H165  1  0.514573  0.155939  0.706606  1
  H  H166  1  0.497275  0.757572  0.696567  1
  H  H167  1  0.355778  0.076171  0.711045  1
  H  H168  1  0.337449  0.677273  0.700275  1
  H  H169  1  0.194041  0.134277  0.713046  1
  H  H170  1  0.174893  0.736630  0.702938  1
  H  H171  1  0.156924  0.338025  0.692778  1
  H  H172  1  0.978604  0.858883  0.686738  1
  H  H173  1  1.015954  0.656319  0.707061  1
  H  H174  1  0.997265  0.257102  0.696771  1
  H  H175  1  0.819976  0.778357  0.690986  1
  H  H176  1  0.800588  0.379460  0.680031  1
  H  H177  1  0.695272  0.633744  0.713558  1
  H  H178  1  0.675645  0.235127  0.703335  1
  H  H179  1  0.534663  0.554700  0.717051  1
  H  H180  1  0.319064  0.279158  0.690192  1
  H  H181  1  0.893865  0.371432  0.731448  1
  H  H182  1  0.712693  0.031344  0.723756  1
  H  H183  1  0.570580  0.350800  0.736949  1
  H  H184  1  0.551847  -0.047211  0.726985  1
  H  H185  1  0.412628  0.271174  0.742039  1
  H  H186  1  0.393031  -0.127716  0.730388  1
  H  H187  1  0.251213  0.328687  0.743769  1
  H  H188  1  0.230224  -0.067984  0.733444  1
  H  H189  1  0.213012  0.533174  0.723017  1
  H  H190  1  0.034723  0.053698  0.717374  1
  H  H191  1  0.071783  0.851086  0.738338  1
  H  H192  1  0.052346  0.452807  0.726773  1
  H  H193  1  0.875330  -0.026318  0.721601  1
  H  H194  1  0.857844  0.575063  0.711265  1
  H  H195  1  0.751525  0.827993  0.744526  1
  H  H196  1  0.732607  0.429847  0.733390  1
  H  H197  1  0.590708  0.748696  0.747780  1
  H  H198  1  0.374869  0.474424  0.721047  1
  H  H199  1  0.951835  0.567484  0.762886  1
  H  H200  1  0.769602  0.224253  0.754151  1
  H  H201  1  0.629095  0.546138  0.767876  1
  H  H202  1  0.607256  0.147396  0.757709  1
  H  H203  1  0.469591  0.466791  0.771868  1
  H  H204  1  0.449135  0.068935  0.762577  1
  H  H205  1  0.305758  0.526160  0.774509  1
  H  H206  1  0.286094  0.126504  0.764623  1
  H  H207  1  0.269608  0.727958  0.753763  1
  H  H208  1  0.091514  0.248161  0.747727  1
  H  H209  1  0.126646  0.047778  0.768990  1
  H  H210  1  0.109815  0.648110  0.758204  1
  H  H211  1  0.932193  0.168811  0.752434  1
  H  H212  1  0.914043  0.770801  0.742755  1
  H  H213  1  0.804966  0.020626  0.775004  1
  H  H214  1  0.789791  0.623940  0.764538  1
  H  H215  1  0.644154  -0.055561  0.777757  1
  H  H216  1  0.431065  0.669535  0.751747  1
  H  H217  1  1.008841  0.760050  0.795467  1
  H  H218  1  0.825555  0.420530  0.784749  1
  H  H219  1  0.685410  0.742701  0.798456  1
  H  H220  1  0.665498  0.342996  0.786223  1
  H  H221  1  0.525206  0.656418  0.803763  1
  H  H222  1  0.506720  0.264232  0.794601  1
  H  H223  1  0.362779  0.719040  0.806240  1
  H  H224  1  0.342868  0.323628  0.795379  1
  H  H225  1  0.325696  -0.076981  0.783519  1
  H  H226  1  0.147169  0.444076  0.776477  1
  H  H227  1  0.182035  0.242029  0.800578  1
  H  H228  1  0.168058  0.845677  0.788748  1
  H  H229  1  0.989424  0.362860  0.781983  1
  H  H230  1  0.968467  -0.033262  0.772785  1
  H  H231  1  0.859837  0.213755  0.805625  1
  H  H232  1  0.845912  0.817568  0.796642  1
  H  H233  1  0.698218  0.141237  0.809616  1
  H  H234  1  0.486256  0.863332  0.781261  1
  H  H235  1  0.061262  -0.046935  0.824753  1
  H  H236  1  0.883433  0.613302  0.817270  1
  H  H237  1  0.734152  -0.064261  0.830011  1
  H  H238  1  0.721946  0.545441  0.819985  1
  H  H239  1  0.574077  0.845094  0.833602  1
  H  H240  1  0.566820  0.448857  0.824860  1
  H  H241  1  0.410441  -0.087028  0.835826  1
  H  H242  1  0.400102  0.509858  0.826480  1
  H  H243  1  0.379541  0.124957  0.816776  1
  H  H244  1  0.202286  0.648158  0.810356  1
  H  H245  1  0.229598  0.438334  0.829404  1
  H  H246  1  0.223721  0.033967  0.820904  1
  H  H247  1  0.048312  0.546863  0.815247  1
  H  H248  1  1.023617  0.164768  0.806293  1
  H  H249  1  0.920000  0.399833  0.836137  1
  H  H250  1  0.897444  0.011371  0.827310  1
  H  H251  1  0.749170  0.335202  0.838901  1
  H  H252  1  0.541870  0.056915  0.814809  1
