# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65637728
_cell_length_b   16.12181033
_cell_length_c   47.07616020
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7215.10509611
_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  0.798298  0.704191  0.304468  1
  H  H2  1  0.470876  0.529584  0.312734  1
  H  H3  1  0.573037  0.738238  0.278758  1
  H  H4  1  0.796113  0.200526  0.303095  1
  H  H5  1  0.905129  0.401676  0.273999  1
  H  H6  1  0.848982  0.553166  0.288438  1
  H  H7  1  0.312902  0.407881  0.268872  1
  H  H8  1  0.255532  0.555236  0.283804  1
  H  H9  1  0.195356  0.706362  0.297908  1
  H  H10  1  0.651104  0.095197  0.263946  1
  H  H11  1  0.569846  0.236763  0.279400  1
  H  H12  1  0.520873  0.382793  0.296331  1
  H  H13  1  0.905559  0.904745  0.273229  1
  H  H14  1  0.856329  0.051285  0.289671  1
  H  H15  1  0.316032  0.905609  0.267996  1
  H  H16  1  0.253790  0.056802  0.283219  1
  H  H17  1  0.194801  0.206774  0.297748  1
  H  H18  1  0.522239  0.882999  0.296937  1
  H  H19  1  0.633536  0.618965  0.308124  1
  H  H20  1  0.304956  0.444395  0.316043  1
  H  H21  1  0.417220  0.645186  0.282105  1
  H  H22  1  0.633708  0.118530  0.311262  1
  H  H23  1  0.739027  0.318380  0.274512  1
  H  H24  1  0.678868  0.471423  0.289939  1
  H  H25  1  0.135791  0.318103  0.266447  1
  H  H26  1  0.081262  0.475727  0.278440  1
  H  H27  1  0.021818  0.631609  0.289438  1
  H  H28  1  0.482193  1.000006  0.265963  1
  H  H29  1  0.416898  0.144623  0.283074  1
  H  H30  1  0.355063  0.293871  0.299574  1
  H  H31  1  0.737233  0.823993  0.275396  1
  H  H32  1  0.687401  0.969945  0.293017  1
  H  H33  1  0.137038  0.818092  0.266410  1
  H  H34  1  0.086232  0.974470  0.277994  1
  H  H35  1  0.021914  0.132883  0.288537  1
  H  H36  1  0.357084  0.793521  0.299189  1
  H  H37  1  0.660156  0.659712  0.354862  1
  H  H38  1  0.334857  0.488711  0.360506  1
  H  H39  1  0.427247  0.682641  0.329613  1
  H  H40  1  0.661787  0.160737  0.356458  1
  H  H41  1  0.750977  0.357891  0.320890  1
  H  H42  1  0.703878  0.507939  0.337447  1
  H  H43  1  0.133595  0.365368  0.311259  1
  H  H44  1  0.085465  0.521824  0.323402  1
  H  H45  1  0.036057  0.675376  0.335617  1
  H  H46  1  0.473517  0.030706  0.314024  1
  H  H47  1  0.425970  0.183736  0.330200  1
  H  H48  1  0.381596  0.334456  0.345551  1
  H  H49  1  0.753445  0.856142  0.322451  1
  H  H50  1  0.707659  1.006911  0.339343  1
  H  H51  1  0.137599  0.865096  0.311311  1
  H  H52  1  0.085255  0.022245  0.322854  1
  H  H53  1  0.036785  0.174655  0.335379  1
  H  H54  1  0.380910  0.835611  0.345014  1
  H  H55  1  0.500533  0.572113  0.359183  1
  H  H56  1  0.160641  0.409473  0.355534  1
  H  H57  1  0.260396  0.598678  0.329756  1
  H  H58  1  0.501540  0.073064  0.359810  1
  H  H59  1  0.591062  0.269760  0.326236  1
  H  H60  1  0.544847  0.420284  0.343208  1
  H  H61  1  0.964518  0.284115  0.303227  1
  H  H62  1  0.915047  0.441690  0.319797  1
  H  H63  1  0.866926  0.593600  0.334966  1
  H  H64  1  0.306948  0.946119  0.314957  1
  H  H65  1  0.260758  0.098852  0.329252  1
  H  H66  1  0.208790  0.254875  0.342247  1
  H  H67  1  0.589792  0.770218  0.326154  1
  H  H68  1  0.546211  0.920512  0.343441  1
  H  H69  1  0.966711  0.786154  0.302930  1
  H  H70  1  0.917564  0.939660  0.320010  1
  H  H71  1  0.866863  0.094195  0.335378  1
  H  H72  1  0.210818  0.754020  0.342350  1
  H  H73  1  0.529727  0.615459  0.405279  1
  H  H74  1  0.189353  0.453138  0.400053  1
  H  H75  1  0.287718  0.643810  0.373958  1
  H  H76  1  0.530285  0.115456  0.405779  1
  H  H77  1  0.620355  0.310672  0.372512  1
  H  H78  1  0.574230  0.462970  0.389330  1
  H  H79  1  -0.012860  0.329435  0.349574  1
  H  H80  1  0.942239  0.483763  0.365117  1
  H  H81  1  0.896663  0.635901  0.380788  1
  H  H82  1  0.335221  0.989148  0.359988  1
  H  H83  1  0.286438  0.144208  0.373633  1
  H  H84  1  0.236897  0.298493  0.386940  1
  H  H85  1  0.619830  0.810951  0.372480  1
  H  H86  1  0.574897  0.963065  0.389511  1
  H  H87  1  -0.011040  0.828355  0.349773  1
  H  H88  1  0.942653  0.983765  0.365161  1
  H  H89  1  0.896200  0.137392  0.380693  1
  H  H90  1  0.237174  0.798544  0.386851  1
  H  H91  1  0.362551  0.532885  0.405124  1
  H  H92  1  0.016089  0.372986  0.395488  1
  H  H93  1  0.113299  0.564635  0.368231  1
  H  H94  1  0.362110  0.033338  0.404815  1
  H  H95  1  0.455577  0.225714  0.375984  1
  H  H96  1  0.410275  0.378109  0.390785  1
  H  H97  1  0.822768  0.245850  0.349533  1
  H  H98  1  0.777854  0.399248  0.367205  1
  H  H99  1  0.733597  0.550341  0.383939  1
  H  H100  1  0.160925  0.910127  0.355353  1
  H  H101  1  0.112832  0.064762  0.367901  1
  H  H102  1  0.063950  0.218907  0.380963  1
  H  H103  1  0.455858  0.725896  0.375330  1
  H  H104  1  0.409961  0.878513  0.390451  1
  H  H105  1  0.823268  0.745107  0.351067  1
  H  H106  1  0.780389  0.897891  0.368393  1
  H  H107  1  0.735562  0.050257  0.385082  1
  H  H108  1  0.064529  0.718160  0.381187  1
  H  H109  1  0.389861  0.576890  0.449807  1
  H  H110  1  0.045195  0.416345  0.441230  1
  H  H111  1  0.141041  0.607850  0.413144  1
  H  H112  1  0.389843  0.076896  0.449703  1
  H  H113  1  0.484432  0.268543  0.421481  1
  H  H114  1  0.438184  0.421878  0.435919  1
  H  H115  1  0.851692  0.288883  0.396272  1
  H  H116  1  0.806996  0.441632  0.413550  1
  H  H117  1  0.763999  0.592461  0.430623  1
  H  H118  1  0.189367  0.953495  0.399895  1
  H  H119  1  0.140004  0.108305  0.412921  1
  H  H120  1  0.092035  0.262341  0.426499  1
  H  H121  1  0.484846  0.768531  0.421020  1
  H  H122  1  0.437983  0.922205  0.435677  1
  H  H123  1  0.853060  0.788049  0.397200  1
  H  H124  1  0.808222  0.941025  0.414292  1
  H  H125  1  0.765026  0.092427  0.431254  1
  H  H126  1  0.092135  0.762205  0.426505  1
  H  H127  1  0.217334  0.496815  0.444715  1
  H  H128  1  0.881010  0.331931  0.442744  1
  H  H129  1  0.970939  0.526326  0.410848  1
  H  H130  1  0.217135  0.997192  0.444590  1
  H  H131  1  0.313514  0.187646  0.418394  1
  H  H132  1  0.264959  0.342191  0.431592  1
  H  H133  1  0.692143  0.202086  0.402402  1
  H  H134  1  0.648872  0.353302  0.418774  1
  H  H135  1  0.603372  0.505801  0.435425  1
  H  H136  1  0.016568  0.872974  0.395492  1
  H  H137  1  0.970744  0.026761  0.410718  1
  H  H138  1  0.925119  0.179834  0.426628  1
  H  H139  1  0.313907  0.687804  0.418484  1
  H  H140  1  0.265314  0.842260  0.431459  1
  H  H141  1  0.691887  0.701589  0.401529  1
  H  H142  1  0.648991  0.853246  0.418805  1
  H  H143  1  0.603922  1.005599  0.435639  1
  H  H144  1  0.925934  0.678739  0.426818  1
  H  H145  1  0.244921  0.540535  0.489419  1
  H  H146  1  0.910502  0.374549  0.489246  1
  H  H147  1  -0.000056  0.569122  0.456678  1
  H  H148  1  0.244737  0.040696  0.489398  1
  H  H149  1  0.341153  0.231254  0.463137  1
  H  H150  1  0.292949  0.385938  0.476240  1
  H  H151  1  0.721735  0.244556  0.448450  1
  H  H152  1  0.677815  0.396034  0.464991  1
  H  H153  1  0.632875  0.548841  0.481414  1
  H  H154  1  0.045438  0.916479  0.441082  1
  H  H155  1  -0.000384  0.069591  0.456493  1
  H  H156  1  0.954585  0.222708  0.472647  1
  H  H157  1  0.341398  0.731394  0.463097  1
  H  H158  1  0.293136  0.886143  0.476108  1
  H  H159  1  0.722049  0.744098  0.448132  1
  H  H160  1  0.678162  0.895703  0.465128  1
  H  H161  1  0.633343  0.048523  0.481604  1
  H  H162  1  0.955075  0.722125  0.472832  1
  H  H163  1  0.074118  0.459510  0.486954  1
  H  H164  1  0.751123  0.287078  0.494570  1
  H  H165  1  0.836774  0.483817  0.460076  1
  H  H166  1  0.074051  0.959659  0.486705  1
  H  H167  1  0.167920  0.151694  0.457997  1
  H  H168  1  0.120514  0.305885  0.471945  1
  H  H169  1  0.559320  0.158404  0.451566  1
  H  H170  1  0.512978  0.311763  0.466859  1
  H  H171  1  0.466140  0.465745  0.480941  1
  H  H172  1  0.881838  0.831407  0.443249  1
  H  H173  1  0.837576  0.983405  0.460393  1
  H  H174  1  0.794957  0.135098  0.477415  1
  H  H175  1  0.168173  0.651587  0.458055  1
  H  H176  1  0.120643  0.805885  0.471784  1
  H  H177  1  0.559122  0.658478  0.451225  1
  H  H178  1  0.513178  0.811817  0.466540  1
  H  H179  1  0.466150  0.965829  0.480850  1
  H  H180  1  0.794919  0.634918  0.477284  1
  H  H181  1  0.103028  0.502649  0.532727  1
  H  H182  1  0.780312  0.329720  0.540702  1
  H  H183  1  0.867230  0.526210  0.506668  1
  H  H184  1  0.102829  1.002723  0.532385  1
  H  H185  1  0.196000  0.195298  0.503102  1
  H  H186  1  0.148972  0.349310  0.517411  1
  H  H187  1  0.588099  0.201468  0.497246  1
  H  H188  1  0.541507  0.355242  0.512167  1
  H  H189  1  0.493977  0.509540  0.525897  1
  H  H190  1  0.911026  0.874049  0.489381  1
  H  H191  1  0.867192  0.026029  0.506537  1
  H  H192  1  0.824574  0.177722  0.523558  1
  H  H193  1  0.196010  0.695382  0.503010  1
  H  H194  1  0.149171  0.849364  0.517093  1
  H  H195  1  0.588032  0.701617  0.496997  1
  H  H196  1  0.541635  0.855242  0.512006  1
  H  H197  1  0.494230  1.009433  0.525954  1
  H  H198  1  0.825376  0.677310  0.523875  1
  H  H199  1  0.940100  0.417030  0.535819  1
  H  H200  1  0.616711  0.244648  0.542869  1
  H  H201  1  0.707075  0.439002  0.511119  1
  H  H202  1  0.940415  0.916571  0.535501  1
  H  H203  1  0.028807  0.112604  0.502348  1
  H  H204  1  0.983988  0.265424  0.518823  1
  H  H205  1  0.417413  0.120431  0.494553  1
  H  H206  1  0.369013  0.274984  0.507844  1
  H  H207  1  0.320751  0.429733  0.520855  1
  H  H208  1  0.751647  0.786578  0.494705  1
  H  H209  1  0.707564  0.938419  0.511304  1
  H  H210  1  0.662534  0.091537  0.527458  1
  H  H211  1  0.029275  0.612286  0.502537  1
  H  H212  1  0.984334  0.765093  0.518960  1
  H  H213  1  0.417229  0.620593  0.494533  1
  H  H214  1  0.369201  0.775189  0.507712  1
  H  H215  1  0.320997  0.929873  0.520814  1
  H  H216  1  0.662206  0.592005  0.527273  1
  H  H217  1  0.970263  0.459538  0.582422  1
  H  H218  1  0.645582  0.288153  0.588459  1
  H  H219  1  0.736216  0.482388  0.557134  1
  H  H220  1  0.970007  0.959041  0.581549  1
  H  H221  1  0.058228  0.155529  0.548312  1
  H  H222  1  0.013158  0.307881  0.565146  1
  H  H223  1  0.445015  0.163935  0.539361  1
  H  H224  1  0.396835  0.318868  0.552492  1
  H  H225  1  0.348242  0.473323  0.565468  1
  H  H226  1  0.781140  0.829196  0.541207  1
  H  H227  1  0.737031  0.981293  0.557323  1
  H  H228  1  0.691406  0.134366  0.573233  1
  H  H229  1  0.058778  0.655326  0.548526  1
  H  H230  1  0.013277  0.807825  0.565177  1
  H  H231  1  0.444815  0.664313  0.539236  1
  H  H232  1  0.397191  0.818937  0.552359  1
  H  H233  1  0.348635  0.973481  0.565557  1
  H  H234  1  0.691210  0.634801  0.573104  1
  H  H235  1  0.809089  0.373079  0.586751  1
  H  H236  1  0.472782  0.207632  0.584056  1
  H  H237  1  0.570015  0.398922  0.557447  1
  H  H238  1  0.810458  0.872244  0.587679  1
  H  H239  1  0.897123  0.068700  0.552697  1
  H  H240  1  0.853928  0.220102  0.569659  1
  H  H241  1  0.272307  0.084231  0.534248  1
  H  H242  1  0.224167  0.238922  0.548274  1
  H  H243  1  0.177304  0.392596  0.562931  1
  H  H244  1  0.616955  0.744782  0.542721  1
  H  H245  1  0.570115  0.898786  0.557452  1
  H  H246  1  0.522145  0.052822  0.571030  1
  H  H247  1  0.898150  0.568666  0.553328  1
  H  H248  1  0.855153  0.719495  0.570401  1
  H  H249  1  0.272288  0.584238  0.534145  1
  H  H250  1  0.223965  0.739249  0.548032  1
  H  H251  1  0.177717  0.892584  0.562470  1
  H  H252  1  0.521108  0.553277  0.570807  1
  H  H253  1  0.838881  0.416020  0.632884  1
  H  H254  1  0.501224  0.251000  0.628599  1
  H  H255  1  0.597621  0.442967  0.602764  1
  H  H256  1  0.839382  0.915277  0.634418  1
  H  H257  1  0.926587  0.110870  0.598869  1
  H  H258  1  0.881760  0.263236  0.615558  1
  H  H259  1  0.300040  0.127789  0.579136  1
  H  H260  1  0.252189  0.282614  0.593500  1
  H  H261  1  0.206292  0.435231  0.608621  1
  H  H262  1  0.646060  0.788142  0.588464  1
  H  H263  1  0.598200  0.942220  0.602988  1
  H  H264  1  0.549317  0.096365  0.616050  1
  H  H265  1  0.928553  0.610786  0.600012  1
  H  H266  1  0.884295  0.761880  0.616746  1
  H  H267  1  0.299599  0.628242  0.578827  1
  H  H268  1  0.251874  0.783018  0.593167  1
  H  H269  1  0.206573  0.935413  0.607967  1
  H  H270  1  0.548850  0.596492  0.615720  1
  H  H271  1  0.673190  0.332772  0.634178  1
  H  H272  1  0.326929  0.171979  0.623963  1
  H  H273  1  0.424976  0.362583  0.597101  1
  H  H274  1  0.675010  0.831692  0.634377  1
  H  H275  1  0.765950  0.023735  0.603259  1
  H  H276  1  0.719496  0.177363  0.618790  1
  H  H277  1  0.131864  0.045672  0.578173  1
  H  H278  1  0.087252  0.198062  0.594440  1
  H  H279  1  0.042320  0.350176  0.611472  1
  H  H280  1  0.472797  0.707990  0.583899  1
  H  H281  1  0.425253  0.862634  0.597011  1
  H  H282  1  0.375711  0.016919  0.610318  1
  H  H283  1  0.765487  0.525227  0.603164  1
  H  H284  1  0.719911  0.677364  0.618834  1
  H  H285  1  0.132423  0.545668  0.578672  1
  H  H286  1  0.087920  0.698157  0.594621  1
  H  H287  1  0.041795  0.850455  0.611439  1
  H  H288  1  0.374431  0.517317  0.609993  1
  H  H289  1  0.695439  0.374973  0.681021  1
  H  H290  1  0.355202  0.215009  0.668994  1
  H  H291  1  0.451332  0.407107  0.641601  1
  H  H292  1  0.697631  0.877013  0.680724  1
  H  H293  1  0.795287  0.066933  0.648573  1
  H  H294  1  0.744585  0.221467  0.663941  1
  H  H295  1  0.160609  0.088063  0.624141  1
  H  H296  1  0.115938  0.240615  0.640511  1
  H  H297  1  0.072357  0.390909  0.657798  1
  H  H298  1  0.501509  0.751654  0.628417  1
  H  H299  1  0.453359  0.906252  0.641704  1
  H  H300  1  0.401392  0.062275  0.654700  1
  H  H301  1  0.795224  0.567528  0.648985  1
  H  H302  1  0.747102  0.719437  0.664155  1
  H  H303  1  0.161616  0.589014  0.624768  1
  H  H304  1  0.117303  0.740843  0.640743  1
  H  H305  1  0.071088  0.891367  0.657715  1
  H  H306  1  0.401754  0.562449  0.654195  1
  H  H307  1  0.524551  0.296031  0.672640  1
  H  H308  1  0.188633  0.130421  0.669927  1
  H  H309  1  0.281240  0.325517  0.638937  1
  H  H310  1  0.528554  0.795759  0.672693  1
  H  H311  1  0.625365  0.986472  0.648572  1
  H  H312  1  0.576894  0.138882  0.661098  1
  H  H313  1  0.000363  1.000391  0.627494  1
  H  H314  1  0.954490  0.154216  0.644609  1
  H  H315  1  0.908705  0.304985  0.661501  1
  H  H316  1  0.327293  0.672417  0.623446  1
  H  H317  1  0.280554  0.826671  0.638400  1
  H  H318  1  0.236179  0.977391  0.653751  1
  H  H319  1  0.626093  0.485752  0.648334  1
  H  H320  1  0.576685  0.639303  0.660549  1
  H  H321  1  0.001994  0.501415  0.629089  1
  H  H322  1  0.958272  0.653188  0.646505  1
  H  H323  1  0.911172  0.803236  0.663061  1
  H  H324  1  0.234903  0.478486  0.654338  1
  H  H325  1  0.525111  0.343035  0.717541  1
  H  H326  1  0.179956  0.161121  0.717988  1
  H  H327  1  0.305066  0.367606  0.684763  1
  H  H328  1  0.526359  0.843024  0.717504  1
  H  H329  1  0.640235  0.028244  0.695414  1
  H  H330  1  0.575918  0.186657  0.705957  1
  H  H331  1  0.028442  0.042597  0.672690  1
  H  H332  1  0.974748  0.191182  0.690934  1
  H  H333  1  0.924917  0.337134  0.708555  1
  H  H334  1  0.357193  0.716732  0.667909  1
  H  H335  1  0.307086  0.867256  0.684378  1
  H  H336  1  0.245252  0.016504  0.700877  1
  H  H337  1  0.640331  0.529518  0.694513  1
  H  H338  1  0.580888  0.685400  0.705511  1
  H  H339  1  0.028613  0.542162  0.675827  1
  H  H340  1  0.983282  0.689704  0.694012  1
  H  H341  1  0.923123  0.842747  0.709440  1
  H  H342  1  0.244929  0.515941  0.701846  1
  H  H343  1  0.346118  0.255518  0.715955  1
  H  H344  1  0.011046  0.065930  0.720005  1
  H  H345  1  0.139911  0.278128  0.687014  1
  H  H346  1  0.349248  0.753246  0.715080  1
  H  H347  1  0.467349  0.954354  0.686203  1
  H  H348  1  0.408360  0.104325  0.700732  1
  H  H349  1  0.866036  0.960602  0.680857  1
  H  H350  1  0.805821  0.109842  0.694280  1
  H  H351  1  0.756590  0.256382  0.710722  1
  H  H352  1  0.191273  0.631543  0.671217  1
  H  H353  1  0.141276  0.778334  0.687621  1
  H  H354  1  0.092304  0.924364  0.704552  1
  H  H355  1  0.466793  0.454765  0.686044  1
  H  H356  1  0.406618  0.605891  0.700148  1
  H  H357  1  0.863851  0.456936  0.679483  1
  H  H358  1  0.813168  0.607961  0.695513  1
  H  H359  1  0.757020  0.759451  0.709952  1
  H  H360  1  0.089113  0.422890  0.705193  1
