# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.37398564
_cell_length_b   24.82957338
_cell_length_c   47.85245507
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.75648363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H936
_cell_volume   19299.5852068
_cell_formula_units_Z   468
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  0.138675  0.969672  0.276826  1
  H  H2  1  0.638675  0.969672  0.276826  1
  H  H3  1  0.773744  0.989818  0.286822  1
  H  H4  1  0.972009  0.636339  0.276826  1
  H  H5  1  0.905134  0.966720  0.299776  1
  H  H6  1  0.107078  0.656484  0.286822  1
  H  H7  1  0.273744  0.989818  0.286822  1
  H  H8  1  0.472009  0.636339  0.276826  1
  H  H9  1  0.405134  0.966720  0.299776  1
  H  H10  1  0.607078  0.656484  0.286822  1
  H  H11  1  0.805342  0.303006  0.276826  1
  H  H12  1  0.738467  0.633387  0.299776  1
  H  H13  1  0.940411  0.323151  0.286822  1
  H  H14  1  0.071800  0.300054  0.299776  1
  H  H15  1  0.305342  0.303006  0.276826  1
  H  H16  1  0.238467  0.633387  0.299776  1
  H  H17  1  0.440411  0.323151  0.286822  1
  H  H18  1  0.571800  0.300054  0.299776  1
  H  H19  1  0.141734  0.761306  0.279101  1
  H  H20  1  0.641734  0.761306  0.279101  1
  H  H21  1  0.787208  0.804735  0.286112  1
  H  H22  1  0.975068  0.427973  0.279101  1
  H  H23  1  0.930110  0.812498  0.296621  1
  H  H24  1  0.120541  0.471401  0.286112  1
  H  H25  1  0.287208  0.804735  0.286112  1
  H  H26  1  0.475068  0.427973  0.279101  1
  H  H27  1  0.430110  0.812498  0.296621  1
  H  H28  1  0.620541  0.471401  0.286112  1
  H  H29  1  0.808401  0.094639  0.279101  1
  H  H30  1  0.763444  0.479165  0.296621  1
  H  H31  1  0.953875  0.138068  0.286112  1
  H  H32  1  0.096777  0.145832  0.296621  1
  H  H33  1  0.308401  0.094639  0.279101  1
  H  H34  1  0.263444  0.479165  0.296621  1
  H  H35  1  0.453875  0.138068  0.286112  1
  H  H36  1  0.596777  0.145832  0.296621  1
  H  H37  1  0.026567  0.728052  0.308785  1
  H  H38  1  0.526567  0.728052  0.308785  1
  H  H39  1  0.768071  0.711648  0.284158  1
  H  H40  1  0.859900  0.394719  0.308785  1
  H  H41  1  0.895583  0.725811  0.297122  1
  H  H42  1  0.101405  0.378314  0.284158  1
  H  H43  1  0.268071  0.711648  0.284158  1
  H  H44  1  0.359900  0.394719  0.308785  1
  H  H45  1  0.395583  0.725811  0.297122  1
  H  H46  1  0.601405  0.378314  0.284158  1
  H  H47  1  0.693233  0.061385  0.308785  1
  H  H48  1  0.728916  0.392478  0.297122  1
  H  H49  1  0.934738  0.044981  0.284158  1
  H  H50  1  0.062249  0.059145  0.297122  1
  H  H51  1  0.193233  0.061385  0.308785  1
  H  H52  1  0.228916  0.392478  0.297122  1
  H  H53  1  0.434738  0.044981  0.284158  1
  H  H54  1  0.562249  0.059145  0.297122  1
  H  H55  1  0.129992  0.891229  0.309623  1
  H  H56  1  0.629992  0.891229  0.309623  1
  H  H57  1  0.834022  0.893463  0.288851  1
  H  H58  1  0.963326  0.557896  0.309623  1
  H  H59  1  0.992044  0.891657  0.297647  1
  H  H60  1  0.167355  0.560129  0.288851  1
  H  H61  1  0.334022  0.893463  0.288851  1
  H  H62  1  0.463326  0.557896  0.309623  1
  H  H63  1  0.492044  0.891657  0.297647  1
  H  H64  1  0.667355  0.560129  0.288851  1
  H  H65  1  0.796659  0.224562  0.309623  1
  H  H66  1  0.825377  0.558324  0.297647  1
  H  H67  1  1.000688  0.226796  0.288851  1
  H  H68  1  0.158711  0.224991  0.297647  1
  H  H69  1  0.296659  0.224562  0.309623  1
  H  H70  1  0.325377  0.558324  0.297647  1
  H  H71  1  0.500688  0.226796  0.288851  1
  H  H72  1  0.658711  0.224991  0.297647  1
  H  H73  1  0.040568  0.973922  0.310639  1
  H  H74  1  0.540568  0.973922  0.310639  1
  H  H75  1  0.681887  0.972110  0.321937  1
  H  H76  1  0.873902  0.640589  0.310639  1
  H  H77  1  0.815674  0.961984  0.333649  1
  H  H78  1  0.015220  0.638777  0.321937  1
  H  H79  1  0.181887  0.972110  0.321937  1
  H  H80  1  0.373902  0.640589  0.310639  1
  H  H81  1  0.315674  0.961984  0.333649  1
  H  H82  1  0.515220  0.638777  0.321937  1
  H  H83  1  0.707235  0.307256  0.310639  1
  H  H84  1  0.649008  0.628650  0.333649  1
  H  H85  1  0.848554  0.305443  0.321937  1
  H  H86  1  0.982341  0.295317  0.333649  1
  H  H87  1  0.207235  0.307256  0.310639  1
  H  H88  1  0.149008  0.628650  0.333649  1
  H  H89  1  0.348554  0.305443  0.321937  1
  H  H90  1  0.482341  0.295317  0.333649  1
  H  H91  1  0.065761  0.812679  0.310885  1
  H  H92  1  0.565761  0.812679  0.310885  1
  H  H93  1  0.700114  0.801506  0.321326  1
  H  H94  1  0.899094  0.479346  0.310885  1
  H  H95  1  0.836940  0.797708  0.331603  1
  H  H96  1  0.033447  0.468173  0.321326  1
  H  H97  1  0.200114  0.801506  0.321326  1
  H  H98  1  0.399094  0.479346  0.310885  1
  H  H99  1  0.336940  0.797708  0.331603  1
  H  H100  1  0.533447  0.468173  0.321326  1
  H  H101  1  0.732427  0.146012  0.310885  1
  H  H102  1  0.670273  0.464375  0.331603  1
  H  H103  1  0.866780  0.134839  0.321326  1
  H  H104  1  0.003606  0.131042  0.331603  1
  H  H105  1  0.232427  0.146012  0.310885  1
  H  H106  1  0.170273  0.464375  0.331603  1
  H  H107  1  0.366780  0.134839  0.321326  1
  H  H108  1  0.503606  0.131042  0.331603  1
  H  H109  1  0.926108  0.706971  0.343436  1
  H  H110  1  0.426108  0.706971  0.343436  1
  H  H111  1  0.660420  0.715523  0.320992  1
  H  H112  1  0.759441  0.373638  0.343436  1
  H  H113  1  0.791905  0.714383  0.331883  1
  H  H114  1  0.993753  0.382189  0.320992  1
  H  H115  1  0.160420  0.715523  0.320992  1
  H  H116  1  0.259441  0.373638  0.343436  1
  H  H117  1  0.291905  0.714383  0.331883  1
  H  H118  1  0.493753  0.382189  0.320992  1
  H  H119  1  0.592775  0.040304  0.343436  1
  H  H120  1  0.625238  0.381050  0.331883  1
  H  H121  1  0.827087  0.048856  0.320992  1
  H  H122  1  0.958572  0.047717  0.331883  1
  H  H123  1  0.092775  0.040304  0.343436  1
  H  H124  1  0.125238  0.381050  0.331883  1
  H  H125  1  0.327087  0.048856  0.320992  1
  H  H126  1  0.458572  0.047717  0.331883  1
  H  H127  1  0.029817  0.873389  0.345789  1
  H  H128  1  0.529817  0.873389  0.345789  1
  H  H129  1  0.757234  0.883589  0.326016  1
  H  H130  1  0.863150  0.540055  0.345789  1
  H  H131  1  0.896100  0.878586  0.333981  1
  H  H132  1  0.090567  0.550255  0.326016  1
  H  H133  1  0.257234  0.883589  0.326016  1
  H  H134  1  0.363150  0.540055  0.345789  1
  H  H135  1  0.396100  0.878586  0.333981  1
  H  H136  1  0.590567  0.550255  0.326016  1
  H  H137  1  0.696483  0.206722  0.345789  1
  H  H138  1  0.729433  0.545252  0.333981  1
  H  H139  1  0.923900  0.216922  0.326016  1
  H  H140  1  0.062766  0.211919  0.333981  1
  H  H141  1  0.196483  0.206722  0.345789  1
  H  H142  1  0.229433  0.545252  0.333981  1
  H  H143  1  0.423900  0.216922  0.326016  1
  H  H144  1  0.562766  0.211919  0.333981  1
  H  H145  1  0.953162  0.958168  0.344305  1
  H  H146  1  0.453162  0.958168  0.344305  1
  H  H147  1  0.591909  0.949532  0.353962  1
  H  H148  1  0.786495  0.624835  0.344305  1
  H  H149  1  0.726354  0.941193  0.365882  1
  H  H150  1  0.925242  0.616199  0.353962  1
  H  H151  1  0.091909  0.949532  0.353962  1
  H  H152  1  0.286495  0.624835  0.344305  1
  H  H153  1  0.226354  0.941193  0.365882  1
  H  H154  1  0.425242  0.616199  0.353962  1
  H  H155  1  0.619829  0.291501  0.344305  1
  H  H156  1  0.559688  0.607860  0.365882  1
  H  H157  1  0.758576  0.282866  0.353962  1
  H  H158  1  0.893021  0.274526  0.365882  1
  H  H159  1  0.119829  0.291501  0.344305  1
  H  H160  1  0.059688  0.607860  0.365882  1
  H  H161  1  0.258576  0.282866  0.353962  1
  H  H162  1  0.393021  0.274526  0.365882  1
  H  H163  1  0.970475  0.790994  0.343067  1
  H  H164  1  0.470475  0.790994  0.343067  1
  H  H165  1  0.604585  0.782200  0.354440  1
  H  H166  1  0.803808  0.457660  0.343067  1
  H  H167  1  0.739118  0.776164  0.365612  1
  H  H168  1  0.937919  0.448867  0.354440  1
  H  H169  1  0.104585  0.782200  0.354440  1
  H  H170  1  0.303808  0.457660  0.343067  1
  H  H171  1  0.239118  0.776164  0.365612  1
  H  H172  1  0.437919  0.448867  0.354440  1
  H  H173  1  0.637141  0.124327  0.343067  1
  H  H174  1  0.572451  0.442830  0.365612  1
  H  H175  1  0.771252  0.115533  0.354440  1
  H  H176  1  0.905785  0.109497  0.365612  1
  H  H177  1  0.137141  0.124327  0.343067  1
  H  H178  1  0.072451  0.442830  0.365612  1
  H  H179  1  0.271252  0.115533  0.354440  1
  H  H180  1  0.405785  0.109497  0.365612  1
  H  H181  1  0.832773  0.683996  0.377420  1
  H  H182  1  0.332773  0.683996  0.377420  1
  H  H183  1  0.561049  0.698972  0.354916  1
  H  H184  1  0.666107  0.350662  0.377420  1
  H  H185  1  0.696689  0.691839  0.366529  1
  H  H186  1  0.894382  0.365638  0.354916  1
  H  H187  1  0.061049  0.698972  0.354916  1
  H  H188  1  0.166107  0.350662  0.377420  1
  H  H189  1  0.196689  0.691839  0.366529  1
  H  H190  1  0.394382  0.365638  0.354916  1
  H  H191  1  0.499440  0.017329  0.377420  1
  H  H192  1  0.530022  0.358505  0.366529  1
  H  H193  1  0.727716  0.032305  0.354916  1
  H  H194  1  0.863356  0.025172  0.366529  1
  H  H195  1  0.999440  0.017329  0.377420  1
  H  H196  1  0.030022  0.358505  0.366529  1
  H  H197  1  0.227716  0.032305  0.354916  1
  H  H198  1  0.363356  0.025172  0.366529  1
  H  H199  1  0.934652  0.847927  0.379881  1
  H  H200  1  0.434652  0.847927  0.379881  1
  H  H201  1  0.663062  0.862693  0.357931  1
  H  H202  1  0.767985  0.514593  0.379881  1
  H  H203  1  0.800174  0.855433  0.369482  1
  H  H204  1  0.996396  0.529359  0.357931  1
  H  H205  1  0.163062  0.862693  0.357931  1
  H  H206  1  0.267985  0.514593  0.379881  1
  H  H207  1  0.300174  0.855433  0.369482  1
  H  H208  1  0.496396  0.529359  0.357931  1
  H  H209  1  0.601318  0.181260  0.379881  1
  H  H210  1  0.633507  0.522100  0.369482  1
  H  H211  1  0.829729  0.196026  0.357931  1
  H  H212  1  0.966840  0.188767  0.369482  1
  H  H213  1  0.101318  0.181260  0.379881  1
  H  H214  1  0.133507  0.522100  0.369482  1
  H  H215  1  0.329729  0.196026  0.357931  1
  H  H216  1  0.466840  0.188767  0.369482  1
  H  H217  1  0.863341  0.933486  0.376290  1
  H  H218  1  0.363341  0.933486  0.376290  1
  H  H219  1  0.500371  0.926264  0.386979  1
  H  H220  1  0.696675  0.600152  0.376290  1
  H  H221  1  0.635914  0.917811  0.398023  1
  H  H222  1  0.833704  0.592930  0.386979  1
  H  H223  1  1.000371  0.926264  0.386979  1
  H  H224  1  0.196675  0.600152  0.376290  1
  H  H225  1  0.135914  0.917811  0.398023  1
  H  H226  1  0.333704  0.592930  0.386979  1
  H  H227  1  0.530008  0.266819  0.376290  1
  H  H228  1  0.469247  0.584478  0.398023  1
  H  H229  1  0.667038  0.259597  0.386979  1
  H  H230  1  0.802581  0.251145  0.398023  1
  H  H231  1  0.030008  0.266819  0.376290  1
  H  H232  1  0.969247  0.584478  0.398023  1
  H  H233  1  0.167038  0.259597  0.386979  1
  H  H234  1  0.302581  0.251145  0.398023  1
  H  H235  1  0.872598  0.768759  0.376360  1
  H  H236  1  0.372598  0.768759  0.376360  1
  H  H237  1  0.505427  0.760205  0.387683  1
  H  H238  1  0.705932  0.435426  0.376360  1
  H  H239  1  0.638353  0.752598  0.398868  1
  H  H240  1  0.838760  0.426872  0.387683  1
  H  H241  1  0.005427  0.760205  0.387683  1
  H  H242  1  0.205932  0.435426  0.376360  1
  H  H243  1  0.138353  0.752598  0.398868  1
  H  H244  1  0.338760  0.426872  0.387683  1
  H  H245  1  0.539265  0.102092  0.376360  1
  H  H246  1  0.471686  0.419264  0.398868  1
  H  H247  1  0.672093  0.093539  0.387683  1
  H  H248  1  0.805020  0.085931  0.398868  1
  H  H249  1  0.039265  0.102092  0.376360  1
  H  H250  1  0.971686  0.419264  0.398868  1
  H  H251  1  0.172093  0.093539  0.387683  1
  H  H252  1  0.305020  0.085931  0.398868  1
  H  H253  1  0.739803  0.658521  0.411312  1
  H  H254  1  0.239803  0.658521  0.411312  1
  H  H255  1  0.467963  0.675249  0.388810  1
  H  H256  1  0.573136  0.325188  0.411312  1
  H  H257  1  0.603844  0.667068  0.400094  1
  H  H258  1  0.801296  0.341915  0.388810  1
  H  H259  1  0.967963  0.675249  0.388810  1
  H  H260  1  0.073136  0.325188  0.411312  1
  H  H261  1  0.103844  0.667068  0.400094  1
  H  H262  1  0.301296  0.341915  0.388810  1
  H  H263  1  0.406469  0.991855  0.411312  1
  H  H264  1  0.437177  0.333734  0.400094  1
  H  H265  1  0.634629  0.008582  0.388810  1
  H  H266  1  0.770511  1.000401  0.400094  1
  H  H267  1  0.906469  0.991855  0.411312  1
  H  H268  1  0.937177  0.333734  0.400094  1
  H  H269  1  0.134629  0.008582  0.388810  1
  H  H270  1  0.270511  1.000401  0.400094  1
  H  H271  1  0.835587  0.822725  0.414395  1
  H  H272  1  0.335587  0.822725  0.414395  1
  H  H273  1  0.567686  0.839472  0.391445  1
  H  H274  1  0.668920  0.489391  0.414395  1
  H  H275  1  0.701697  0.831372  0.403141  1
  H  H276  1  0.901020  0.506139  0.391445  1
  H  H277  1  0.067686  0.839472  0.391445  1
  H  H278  1  0.168920  0.489391  0.414395  1
  H  H279  1  0.201697  0.831372  0.403141  1
  H  H280  1  0.401020  0.506139  0.391445  1
  H  H281  1  0.502254  0.156058  0.414395  1
  H  H282  1  0.535031  0.498038  0.403141  1
  H  H283  1  0.734353  0.172805  0.391445  1
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  H  H864  1  0.565192  0.959067  0.669140  1
  H  H865  1  0.072072  0.699187  0.681681  1
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  H  H871  1  0.203056  0.701428  0.693344  1
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  H  H873  1  0.330568  0.715592  0.706308  1
  H  H874  1  0.536390  0.368095  0.693344  1
  H  H875  1  0.738739  0.032521  0.681681  1
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  H  H883  1  0.968647  0.536011  0.680843  1
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  H  H889  1  0.106595  0.535582  0.692819  1
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  H  H893  1  0.635313  0.869344  0.680843  1
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  H  H900  1  0.431284  0.867110  0.701615  1
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  H  H903  1  0.693505  0.460519  0.690690  1
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  H  H924  1  1.001862  0.281408  0.693845  1
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  H  H935  1  0.335195  0.948074  0.693845  1
  H  H936  1  0.478098  0.955838  0.704354  1
