# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.69983960
_cell_length_b   12.36953740
_cell_length_c   47.44207618
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.64264527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H384
_cell_volume   9386.17818204
_cell_formula_units_Z   192
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  0.486067  0.615822  0.301653  1
  H  H2  1  0.129082  0.528181  0.321261  1
  H  H3  1  0.486067  0.115822  0.301653  1
  H  H4  1  0.843052  0.203463  0.282045  1
  H  H5  1  0.129082  0.028181  0.321261  1
  H  H6  1  0.843052  0.703463  0.282045  1
  H  H7  1  0.297390  0.856029  0.319900  1
  H  H8  1  0.011360  0.531311  0.280684  1
  H  H9  1  0.297390  0.356029  0.319900  1
  H  H10  1  0.654375  0.443670  0.300292  1
  H  H11  1  0.011360  0.031311  0.280684  1
  H  H12  1  0.654375  0.943670  0.300292  1
  H  H13  1  0.636074  0.427099  0.287944  1
  H  H14  1  0.279089  0.339458  0.307551  1
  H  H15  1  0.636074  0.927099  0.287944  1
  H  H16  1  0.993059  0.014740  0.268336  1
  H  H17  1  0.279089  0.839458  0.307551  1
  H  H18  1  0.993059  0.514740  0.268336  1
  H  H19  1  0.447398  0.667305  0.306190  1
  H  H20  1  0.161368  0.342587  0.266975  1
  H  H21  1  0.447398  0.167305  0.306190  1
  H  H22  1  0.804383  0.254946  0.286582  1
  H  H23  1  0.161368  0.842587  0.266975  1
  H  H24  1  0.804383  0.754946  0.286582  1
  H  H25  1  0.307574  0.072002  0.311457  1
  H  H26  1  0.021544  0.747284  0.272241  1
  H  H27  1  0.307574  0.572002  0.311457  1
  H  H28  1  0.664559  0.659643  0.291849  1
  H  H29  1  0.021544  0.247284  0.272241  1
  H  H30  1  0.664559  0.159643  0.291849  1
  H  H31  1  0.475883  0.899849  0.310096  1
  H  H32  1  0.189853  0.575131  0.270880  1
  H  H33  1  0.475883  0.399849  0.310096  1
  H  H34  1  0.832868  0.487490  0.290488  1
  H  H35  1  0.189853  0.075131  0.270880  1
  H  H36  1  0.832868  0.987490  0.290488  1
  H  H37  1  0.457581  0.883278  0.297748  1
  H  H38  1  0.100596  0.795637  0.317355  1
  H  H39  1  0.457581  0.383278  0.297748  1
  H  H40  1  0.814567  0.470919  0.278140  1
  H  H41  1  0.100596  0.295637  0.317355  1
  H  H42  1  0.814567  0.970919  0.278140  1
  H  H43  1  0.625890  0.711126  0.296386  1
  H  H44  1  0.268905  0.623484  0.315994  1
  H  H45  1  0.625890  0.211126  0.296386  1
  H  H46  1  0.982875  0.298767  0.276778  1
  H  H47  1  0.268905  0.123484  0.315994  1
  H  H48  1  0.982875  0.798767  0.276778  1
  H  H49  1  0.415112  0.852899  0.360476  1
  H  H50  1  0.058127  0.765258  0.380084  1
  H  H51  1  0.415112  0.352899  0.360476  1
  H  H52  1  0.772097  0.440540  0.340869  1
  H  H53  1  0.058127  0.265258  0.380084  1
  H  H54  1  0.772097  0.940540  0.340869  1
  H  H55  1  0.226435  0.093105  0.378723  1
  H  H56  1  0.940405  0.768387  0.339507  1
  H  H57  1  0.226435  0.593105  0.378723  1
  H  H58  1  0.583420  0.680746  0.359115  1
  H  H59  1  0.940405  0.268387  0.339507  1
  H  H60  1  0.583420  0.180746  0.359115  1
  H  H61  1  0.565119  0.664176  0.346767  1
  H  H62  1  0.208134  0.576535  0.366375  1
  H  H63  1  0.565119  0.164176  0.346767  1
  H  H64  1  0.922104  0.251817  0.327159  1
  H  H65  1  0.208134  0.076535  0.366375  1
  H  H66  1  0.922104  0.751817  0.327159  1
  H  H67  1  0.376443  0.904382  0.365014  1
  H  H68  1  0.090413  0.579664  0.325798  1
  H  H69  1  0.376443  0.404382  0.365014  1
  H  H70  1  0.733428  0.492023  0.345406  1
  H  H71  1  0.090413  0.079664  0.325798  1
  H  H72  1  0.733428  0.992023  0.345406  1
  H  H73  1  0.236619  0.309079  0.370280  1
  H  H74  1  0.950589  0.984361  0.331065  1
  H  H75  1  0.236619  0.809079  0.370280  1
  H  H76  1  0.593604  0.896720  0.350673  1
  H  H77  1  0.950589  0.484361  0.331065  1
  H  H78  1  0.593604  0.396720  0.350673  1
  H  H79  1  0.404928  0.136926  0.368919  1
  H  H80  1  0.118898  0.812208  0.329703  1
  H  H81  1  0.404928  0.636926  0.368919  1
  H  H82  1  0.761913  0.724567  0.349311  1
  H  H83  1  0.118898  0.312208  0.329703  1
  H  H84  1  0.761913  0.224567  0.349311  1
  H  H85  1  0.386626  0.120355  0.356571  1
  H  H86  1  0.029641  0.032714  0.376179  1
  H  H87  1  0.386626  0.620355  0.356571  1
  H  H88  1  0.743611  0.707996  0.336963  1
  H  H89  1  0.029641  0.532714  0.376179  1
  H  H90  1  0.743611  0.207996  0.336963  1
  H  H91  1  0.554935  0.948202  0.355210  1
  H  H92  1  0.197950  0.860561  0.374818  1
  H  H93  1  0.554935  0.448202  0.355210  1
  H  H94  1  0.911920  0.535843  0.335602  1
  H  H95  1  0.197950  0.360561  0.374818  1
  H  H96  1  0.911920  0.035843  0.335602  1
  H  H97  1  0.344156  0.089976  0.419300  1
  H  H98  1  0.987171  0.002335  0.438908  1
  H  H99  1  0.344156  0.589976  0.419300  1
  H  H100  1  0.701141  0.677617  0.399692  1
  H  H101  1  0.987171  0.502335  0.438908  1
  H  H102  1  0.701141  0.177617  0.399692  1
  H  H103  1  0.155480  0.330182  0.437547  1
  H  H104  1  0.869450  0.005464  0.398331  1
  H  H105  1  0.155480  0.830182  0.437547  1
  H  H106  1  0.512465  0.917823  0.417939  1
  H  H107  1  0.869450  0.505464  0.398331  1
  H  H108  1  0.512465  0.417823  0.417939  1
  H  H109  1  0.494164  0.901252  0.405591  1
  H  H110  1  0.137179  0.813611  0.425198  1
  H  H111  1  0.494164  0.401252  0.405591  1
  H  H112  1  0.851149  0.488894  0.385983  1
  H  H113  1  0.137179  0.313611  0.425198  1
  H  H114  1  0.851149  0.988894  0.385983  1
  H  H115  1  0.305487  0.141459  0.423837  1
  H  H116  1  0.019457  0.816741  0.384622  1
  H  H117  1  0.305487  0.641459  0.423837  1
  H  H118  1  0.662472  0.729100  0.404229  1
  H  H119  1  0.019457  0.316741  0.384622  1
  H  H120  1  0.662472  0.229100  0.404229  1
  H  H121  1  0.165664  0.546155  0.429104  1
  H  H122  1  0.879634  0.221438  0.389888  1
  H  H123  1  0.165664  0.046155  0.429104  1
  H  H124  1  0.522649  0.133797  0.409496  1
  H  H125  1  0.879634  0.721438  0.389888  1
  H  H126  1  0.522649  0.633797  0.409496  1
  H  H127  1  0.333973  0.374003  0.427743  1
  H  H128  1  0.047943  0.049285  0.388527  1
  H  H129  1  0.333973  0.874003  0.427743  1
  H  H130  1  0.690958  0.961644  0.408135  1
  H  H131  1  0.047943  0.549285  0.388527  1
  H  H132  1  0.690958  0.461644  0.408135  1
  H  H133  1  0.315671  0.357432  0.415395  1
  H  H134  1  0.958686  0.269791  0.435002  1
  H  H135  1  0.315671  0.857432  0.415395  1
  H  H136  1  0.672656  0.945073  0.395787  1
  H  H137  1  0.958686  0.769791  0.435002  1
  H  H138  1  0.672656  0.445073  0.395787  1
  H  H139  1  0.483980  0.185279  0.414033  1
  H  H140  1  0.126995  0.097638  0.433641  1
  H  H141  1  0.483980  0.685279  0.414033  1
  H  H142  1  0.840965  0.772920  0.394426  1
  H  H143  1  0.126995  0.597638  0.433641  1
  H  H144  1  0.840965  0.272920  0.394426  1
  H  H145  1  0.273201  0.327053  0.478124  1
  H  H146  1  0.916216  0.239412  0.497731  1
  H  H147  1  0.273201  0.827053  0.478124  1
  H  H148  1  0.630186  0.914694  0.458516  1
  H  H149  1  0.916216  0.739412  0.497731  1
  H  H150  1  0.630186  0.414694  0.458516  1
  H  H151  1  0.084525  0.567259  0.496370  1
  H  H152  1  0.798495  0.242541  0.457154  1
  H  H153  1  0.084525  0.067259  0.496370  1
  H  H154  1  0.441510  0.154900  0.476762  1
  H  H155  1  0.798495  0.742541  0.457154  1
  H  H156  1  0.441510  0.654900  0.476762  1
  H  H157  1  0.423209  0.138329  0.464414  1
  H  H158  1  0.066224  0.050688  0.484022  1
  H  H159  1  0.423209  0.638329  0.464414  1
  H  H160  1  0.780194  0.725970  0.444806  1
  H  H161  1  0.066224  0.550688  0.484022  1
  H  H162  1  0.780194  0.225970  0.444806  1
  H  H163  1  0.234532  0.378536  0.482661  1
  H  H164  1  0.948502  0.053818  0.443445  1
  H  H165  1  0.234532  0.878536  0.482661  1
  H  H166  1  0.591517  0.966177  0.463053  1
  H  H167  1  0.948502  0.553818  0.443445  1
  H  H168  1  0.591517  0.466177  0.463053  1
  H  H169  1  0.094709  0.783232  0.487927  1
  H  H170  1  0.808679  0.458514  0.448712  1
  H  H171  1  0.094709  0.283232  0.487927  1
  H  H172  1  0.451694  0.370873  0.468320  1
  H  H173  1  0.808679  0.958514  0.448712  1
  H  H174  1  0.451694  0.870873  0.468320  1
  H  H175  1  0.263017  0.611080  0.486566  1
  H  H176  1  0.976988  0.286362  0.447351  1
  H  H177  1  0.263017  0.111080  0.486566  1
  H  H178  1  0.620002  0.198721  0.466958  1
  H  H179  1  0.976988  0.786362  0.447351  1
  H  H180  1  0.620002  0.698721  0.466958  1
  H  H181  1  0.244716  0.594509  0.474218  1
  H  H182  1  0.887731  0.506868  0.493826  1
  H  H183  1  0.244716  0.094509  0.474218  1
  H  H184  1  0.601701  0.182150  0.454610  1
  H  H185  1  0.887731  0.006868  0.493826  1
  H  H186  1  0.601701  0.682150  0.454610  1
  H  H187  1  0.413025  0.422356  0.472857  1
  H  H188  1  0.056040  0.334715  0.492465  1
  H  H189  1  0.413025  0.922356  0.472857  1
  H  H190  1  0.770010  0.009997  0.453249  1
  H  H191  1  0.056040  0.834715  0.492465  1
  H  H192  1  0.770010  0.509997  0.453249  1
  H  H193  1  0.202246  0.564130  0.536947  1
  H  H194  1  0.845261  0.476489  0.556555  1
  H  H195  1  0.202246  0.064130  0.536947  1
  H  H196  1  0.559231  0.151771  0.517339  1
  H  H197  1  0.845261  0.976489  0.556555  1
  H  H198  1  0.559231  0.651771  0.517339  1
  H  H199  1  0.013570  0.804336  0.555194  1
  H  H200  1  0.727540  0.479618  0.515978  1
  H  H201  1  0.013570  0.304336  0.555194  1
  H  H202  1  0.370555  0.391977  0.535586  1
  H  H203  1  0.727540  0.979618  0.515978  1
  H  H204  1  0.370555  0.891977  0.535586  1
  H  H205  1  0.352254  0.375406  0.523238  1
  H  H206  1  0.995269  0.287765  0.542846  1
  H  H207  1  0.352254  0.875406  0.523238  1
  H  H208  1  0.709239  0.963047  0.503630  1
  H  H209  1  0.995269  0.787765  0.542846  1
  H  H210  1  0.709239  0.463047  0.503630  1
  H  H211  1  0.163577  0.615612  0.541484  1
  H  H212  1  0.877547  0.290894  0.502269  1
  H  H213  1  0.163577  0.115612  0.541484  1
  H  H214  1  0.520562  0.203253  0.521876  1
  H  H215  1  0.877547  0.790894  0.502269  1
  H  H216  1  0.520562  0.703253  0.521876  1
  H  H217  1  0.023754  0.020309  0.546751  1
  H  H218  1  0.737724  0.695591  0.507535  1
  H  H219  1  0.023754  0.520309  0.546751  1
  H  H220  1  0.380739  0.607950  0.527143  1
  H  H221  1  0.737724  0.195591  0.507535  1
  H  H222  1  0.380739  0.107950  0.527143  1
  H  H223  1  0.192062  0.848156  0.545390  1
  H  H224  1  0.906032  0.523439  0.506174  1
  H  H225  1  0.192062  0.348156  0.545390  1
  H  H226  1  0.549047  0.435797  0.525782  1
  H  H227  1  0.906032  0.023439  0.506174  1
  H  H228  1  0.549047  0.935797  0.525782  1
  H  H229  1  0.173761  0.831586  0.533042  1
  H  H230  1  0.816776  0.743945  0.552649  1
  H  H231  1  0.173761  0.331586  0.533042  1
  H  H232  1  0.530746  0.419227  0.513434  1
  H  H233  1  0.816776  0.243945  0.552649  1
  H  H234  1  0.530746  0.919227  0.513434  1
  H  H235  1  0.342070  0.659433  0.531680  1
  H  H236  1  0.985085  0.571792  0.551288  1
  H  H237  1  0.342070  0.159433  0.531680  1
  H  H238  1  0.699055  0.247074  0.512073  1
  H  H239  1  0.985085  0.071792  0.551288  1
  H  H240  1  0.699055  0.747074  0.512073  1
  H  H241  1  0.131291  0.801207  0.595771  1
  H  H242  1  0.774306  0.713565  0.615378  1
  H  H243  1  0.131291  0.301207  0.595771  1
  H  H244  1  0.488276  0.388848  0.576163  1
  H  H245  1  0.774306  0.213565  0.615378  1
  H  H246  1  0.488276  0.888848  0.576163  1
  H  H247  1  0.942615  0.041413  0.614017  1
  H  H248  1  0.656585  0.716695  0.574802  1
  H  H249  1  0.942615  0.541413  0.614017  1
  H  H250  1  0.299600  0.629054  0.594409  1
  H  H251  1  0.656585  0.216695  0.574802  1
  H  H252  1  0.299600  0.129054  0.594409  1
  H  H253  1  0.281299  0.612483  0.582061  1
  H  H254  1  0.924314  0.524842  0.601669  1
  H  H255  1  0.281299  0.112483  0.582061  1
  H  H256  1  0.638284  0.200124  0.562453  1
  H  H257  1  0.924314  0.024842  0.601669  1
  H  H258  1  0.638284  0.700124  0.562453  1
  H  H259  1  0.092622  0.852689  0.600308  1
  H  H260  1  0.806592  0.527971  0.561092  1
  H  H261  1  0.092622  0.352689  0.600308  1
  H  H262  1  0.449607  0.440330  0.580700  1
  H  H263  1  0.806592  0.027971  0.561092  1
  H  H264  1  0.449607  0.940330  0.580700  1
  H  H265  1  0.952799  0.257386  0.605574  1
  H  H266  1  0.666769  0.932668  0.566359  1
  H  H267  1  0.952799  0.757386  0.605574  1
  H  H268  1  0.309784  0.845027  0.585967  1
  H  H269  1  0.666769  0.432668  0.566359  1
  H  H270  1  0.309784  0.345027  0.585967  1
  H  H271  1  0.121107  0.085233  0.604213  1
  H  H272  1  0.835077  0.760515  0.564998  1
  H  H273  1  0.121107  0.585233  0.604213  1
  H  H274  1  0.478092  0.672874  0.584605  1
  H  H275  1  0.835077  0.260515  0.564998  1
  H  H276  1  0.478092  0.172874  0.584605  1
  H  H277  1  0.102806  0.068662  0.591865  1
  H  H278  1  0.745821  0.981021  0.611473  1
  H  H279  1  0.102806  0.568662  0.591865  1
  H  H280  1  0.459791  0.656304  0.572257  1
  H  H281  1  0.745821  0.481021  0.611473  1
  H  H282  1  0.459791  0.156304  0.572257  1
  H  H283  1  0.271115  0.896510  0.590504  1
  H  H284  1  0.914130  0.808869  0.610112  1
  H  H285  1  0.271115  0.396510  0.590504  1
  H  H286  1  0.628100  0.484151  0.570896  1
  H  H287  1  0.914130  0.308869  0.610112  1
  H  H288  1  0.628100  0.984151  0.570896  1
  H  H289  1  0.060336  0.038283  0.654594  1
  H  H290  1  0.703351  0.950642  0.674202  1
  H  H291  1  0.060336  0.538283  0.654594  1
  H  H292  1  0.417321  0.625924  0.634986  1
  H  H293  1  0.703351  0.450642  0.674202  1
  H  H294  1  0.417321  0.125924  0.634986  1
  H  H295  1  0.871660  0.278490  0.672841  1
  H  H296  1  0.585630  0.953772  0.633625  1
  H  H297  1  0.871660  0.778490  0.672841  1
  H  H298  1  0.228645  0.866131  0.653233  1
  H  H299  1  0.585630  0.453772  0.633625  1
  H  H300  1  0.228645  0.366131  0.653233  1
  H  H301  1  0.210344  0.849560  0.640885  1
  H  H302  1  0.853359  0.761919  0.660493  1
  H  H303  1  0.210344  0.349560  0.640885  1
  H  H304  1  0.567329  0.437201  0.621277  1
  H  H305  1  0.853359  0.261919  0.660493  1
  H  H306  1  0.567329  0.937201  0.621277  1
  H  H307  1  0.021667  0.089766  0.659131  1
  H  H308  1  0.735637  0.765048  0.619916  1
  H  H309  1  0.021667  0.589766  0.659131  1
  H  H310  1  0.378652  0.677407  0.639524  1
  H  H311  1  0.735637  0.265048  0.619916  1
  H  H312  1  0.378652  0.177407  0.639524  1
  H  H313  1  0.881844  0.494463  0.664398  1
  H  H314  1  0.595814  0.169745  0.625182  1
  H  H315  1  0.881844  0.994463  0.664398  1
  H  H316  1  0.238829  0.082104  0.644790  1
  H  H317  1  0.595814  0.669745  0.625182  1
  H  H318  1  0.238829  0.582104  0.644790  1
  H  H319  1  0.050152  0.322310  0.663037  1
  H  H320  1  0.764122  0.997592  0.623821  1
  H  H321  1  0.050152  0.822310  0.663037  1
  H  H322  1  0.407137  0.909951  0.643429  1
  H  H323  1  0.764122  0.497592  0.623821  1
  H  H324  1  0.407137  0.409951  0.643429  1
  H  H325  1  0.031851  0.305739  0.650689  1
  H  H326  1  0.674866  0.218098  0.670297  1
  H  H327  1  0.031851  0.805739  0.650689  1
  H  H328  1  0.388836  0.893380  0.631081  1
  H  H329  1  0.674866  0.718098  0.670297  1
  H  H330  1  0.388836  0.393380  0.631081  1
  H  H331  1  0.200160  0.133587  0.649327  1
  H  H332  1  0.843175  0.045946  0.668935  1
  H  H333  1  0.200160  0.633587  0.649327  1
  H  H334  1  0.557145  0.721228  0.629720  1
  H  H335  1  0.843175  0.545946  0.668935  1
  H  H336  1  0.557145  0.221228  0.629720  1
  H  H337  1  0.989381  0.275360  0.713418  1
  H  H338  1  0.632396  0.187719  0.733025  1
  H  H339  1  0.989381  0.775360  0.713418  1
  H  H340  1  0.346366  0.863001  0.693810  1
  H  H341  1  0.632396  0.687719  0.733025  1
  H  H342  1  0.346366  0.363001  0.693810  1
  H  H343  1  0.800705  0.515566  0.731664  1
  H  H344  1  0.514675  0.190849  0.692449  1
  H  H345  1  0.800705  0.015566  0.731664  1
  H  H346  1  0.157690  0.103207  0.712056  1
  H  H347  1  0.514675  0.690849  0.692449  1
  H  H348  1  0.157690  0.603207  0.712056  1
  H  H349  1  0.139388  0.086637  0.699708  1
  H  H350  1  0.782403  0.998996  0.719316  1
  H  H351  1  0.139388  0.586637  0.699708  1
  H  H352  1  0.496374  0.674278  0.680100  1
  H  H353  1  0.782403  0.498996  0.719316  1
  H  H354  1  0.496374  0.174278  0.680100  1
  H  H355  1  0.950712  0.326843  0.717955  1
  H  H356  1  0.664682  0.002125  0.678739  1
  H  H357  1  0.950712  0.826843  0.717955  1
  H  H358  1  0.307697  0.914484  0.698347  1
  H  H359  1  0.664682  0.502125  0.678739  1
  H  H360  1  0.307697  0.414484  0.698347  1
  H  H361  1  0.810889  0.731540  0.723222  1
  H  H362  1  0.524859  0.406822  0.684006  1
  H  H363  1  0.810889  0.231540  0.723222  1
  H  H364  1  0.167874  0.319181  0.703614  1
  H  H365  1  0.524859  0.906822  0.684006  1
  H  H366  1  0.167874  0.819181  0.703614  1
  H  H367  1  0.979197  0.559387  0.721860  1
  H  H368  1  0.693167  0.234669  0.682645  1
  H  H369  1  0.979197  0.059387  0.721860  1
  H  H370  1  0.336182  0.147028  0.702252  1
  H  H371  1  0.693167  0.734669  0.682645  1
  H  H372  1  0.336182  0.647028  0.702252  1
  H  H373  1  0.960896  0.542816  0.709512  1
  H  H374  1  0.603911  0.455175  0.729120  1
  H  H375  1  0.960896  0.042816  0.709512  1
  H  H376  1  0.317881  0.130457  0.689904  1
  H  H377  1  0.603911  0.955175  0.729120  1
  H  H378  1  0.317881  0.630457  0.689904  1
  H  H379  1  0.129205  0.370663  0.708151  1
  H  H380  1  0.772220  0.283022  0.727759  1
  H  H381  1  0.129205  0.870663  0.708151  1
  H  H382  1  0.486190  0.958304  0.688543  1
  H  H383  1  0.772220  0.783022  0.727759  1
  H  H384  1  0.486190  0.458304  0.688543  1
