# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.76869996
_cell_length_b   23.67745183
_cell_length_c   48.16910893
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.41216552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H720
_cell_volume   14534.4372226
_cell_formula_units_Z   360
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  0.659960  0.520894  0.304519  1
  H  H2  1  0.993293  0.187560  0.304519  1
  H  H3  1  1.013868  0.532958  0.290437  1
  H  H4  1  0.309856  0.512564  0.320928  1
  H  H5  1  0.643189  0.179230  0.320928  1
  H  H6  1  0.976522  0.845897  0.320928  1
  H  H7  1  0.326627  0.854227  0.304519  1
  H  H8  1  0.347201  0.199625  0.290437  1
  H  H9  1  0.680535  0.866292  0.290437  1
  H  H10  1  0.636148  0.615084  0.292235  1
  H  H11  1  0.969482  0.281751  0.292235  1
  H  H12  1  0.932372  0.594218  0.322935  1
  H  H13  1  0.284213  0.604325  0.307467  1
  H  H14  1  0.617546  0.270992  0.307467  1
  H  H15  1  0.950879  0.937658  0.307467  1
  H  H16  1  0.302815  -0.051582  0.292235  1
  H  H17  1  0.265706  0.260884  0.322935  1
  H  H18  1  0.599039  0.927551  0.322935  1
  H  H19  1  0.554801  0.676280  0.324710  1
  H  H20  1  0.888134  0.342946  0.324710  1
  H  H21  1  0.907572  0.685039  0.309567  1
  H  H22  1  0.258481  0.696859  0.293921  1
  H  H23  1  0.591814  0.363525  0.293921  1
  H  H24  1  0.925148  0.030192  0.293921  1
  H  H25  1  0.221467  0.009613  0.324710  1
  H  H26  1  0.240905  0.351705  0.309567  1
  H  H27  1  0.574239  0.018372  0.309567  1
  H  H28  1  0.530858  0.767037  0.311196  1
  H  H29  1  0.864191  0.433704  0.311196  1
  H  H30  1  0.881583  0.775635  0.296222  1
  H  H31  1  0.176864  0.758576  0.326259  1
  H  H32  1  0.510197  0.425242  0.326259  1
  H  H33  1  0.843530  0.091909  0.326259  1
  H  H34  1  0.197525  0.100370  0.311196  1
  H  H35  1  0.214917  0.442302  0.296222  1
  H  H36  1  0.548250  0.108968  0.296222  1
  H  H37  1  0.486251  0.515896  0.312959  1
  H  H38  1  0.819585  0.182563  0.312959  1
  H  H39  1  0.836665  0.524210  0.298070  1
  H  H40  1  0.197463  0.536055  0.283464  1
  H  H41  1  0.530797  0.202721  0.283464  1
  H  H42  1  0.864130  0.869388  0.283464  1
  H  H43  1  1.152918  0.849229  0.312959  1
  H  H44  1  0.169998  0.190876  0.298070  1
  H  H45  1  0.503332  0.857543  0.298070  1
  H  H46  1  0.458811  0.605943  0.299688  1
  H  H47  1  0.792144  0.272609  0.299688  1
  H  H48  1  0.820353  0.617817  0.285260  1
  H  H49  1  1.108021  0.598914  0.315115  1
  H  H50  1  0.441354  0.265581  0.315115  1
  H  H51  1  0.774687  0.932247  0.315115  1
  H  H52  1  1.125478  0.939276  0.299688  1
  H  H53  1  1.153686  0.284484  0.285260  1
  H  H54  1  0.487019  -0.048850  0.285260  1
  H  H55  1  0.441962  0.699512  0.287123  1
  H  H56  1  0.775296  0.366178  0.287123  1
  H  H57  1  0.730532  0.681761  0.316642  1
  H  H58  1  1.081248  0.688667  0.301213  1
  H  H59  1  0.414582  0.355334  0.301213  1
  H  H60  1  0.747915  0.022001  0.301213  1
  H  H61  1  1.108629  0.032845  0.287123  1
  H  H62  1  1.063865  0.348428  0.316642  1
  H  H63  1  0.397198  0.015094  0.316642  1
  H  H64  1  0.353131  0.763918  0.318392  1
  H  H65  1  0.686464  0.430584  0.318392  1
  H  H66  1  0.704521  0.772056  0.302703  1
  H  H67  1  1.061137  0.783252  0.288750  1
  H  H68  1  0.394470  0.449919  0.288750  1
  H  H69  1  0.727803  0.116585  0.288750  1
  H  H70  1  1.019797  0.097251  0.318392  1
  H  H71  1  1.037854  0.438723  0.302703  1
  H  H72  1  0.371187  0.105389  0.302703  1
  H  H73  1  0.603823  0.494293  0.350200  1
  H  H74  1  0.937156  0.160959  0.350200  1
  H  H75  1  0.956387  0.502947  0.335444  1
  H  H76  1  0.250659  0.485136  0.364947  1
  H  H77  1  0.583993  0.151803  0.364947  1
  H  H78  1  0.917326  0.818470  0.364947  1
  H  H79  1  0.270490  0.827626  0.350200  1
  H  H80  1  0.289720  0.169614  0.335444  1
  H  H81  1  0.623054  0.836281  0.335444  1
  H  H82  1  0.578845  0.585137  0.337230  1
  H  H83  1  0.912178  0.251804  0.337230  1
  H  H84  1  0.873138  0.567264  0.366810  1
  H  H85  1  0.226100  0.576433  0.351995  1
  H  H86  1  0.559433  0.243100  0.351995  1
  H  H87  1  0.892767  0.909766  0.351995  1
  H  H88  1  0.245511  0.918471  0.337230  1
  H  H89  1  0.206472  0.233930  0.366810  1
  H  H90  1  0.539805  0.900597  0.366810  1
  H  H91  1  0.495808  0.649521  0.368675  1
  H  H92  1  0.829142  0.316188  0.368675  1
  H  H93  1  0.848415  0.658571  0.353866  1
  H  H94  1  0.201161  0.667678  0.339176  1
  H  H95  1  0.534495  0.334344  0.339176  1
  H  H96  1  0.867828  0.001011  0.339176  1
  H  H97  1  1.162475  -0.017145  0.368675  1
  H  H98  1  0.181748  0.325237  0.353866  1
  H  H99  1  0.515082  -0.008096  0.353866  1
  H  H100  1  0.471144  0.740820  0.355651  1
  H  H101  1  0.804477  0.407486  0.355651  1
  H  H102  1  0.823723  0.749879  0.341051  1
  H  H103  1  1.118407  0.731781  0.370548  1
  H  H104  1  0.451740  0.398448  0.370548  1
  H  H105  1  0.785074  0.065114  0.370548  1
  H  H106  1  1.137810  0.074153  0.355651  1
  H  H107  1  1.157056  0.416545  0.341051  1
  H  H108  1  0.490390  0.083212  0.341051  1
  H  H109  1  0.427332  0.489624  0.357602  1
  H  H110  1  0.760665  0.156291  0.357602  1
  H  H111  1  0.779603  0.498696  0.342838  1
  H  H112  1  1.132586  0.507383  0.328019  1
  H  H113  1  0.465919  0.174050  0.328019  1
  H  H114  1  0.799253  0.840717  0.328019  1
  H  H115  1  1.093998  0.822958  0.357602  1
  H  H116  1  1.112936  0.165362  0.342838  1
  H  H117  1  0.446269  0.832029  0.342838  1
  H  H118  1  0.402597  0.580965  0.344818  1
  H  H119  1  0.735931  0.247631  0.344818  1
  H  H120  1  0.754903  0.589726  0.329803  1
  H  H121  1  1.049933  0.571732  0.359473  1
  H  H122  1  0.383267  0.238399  0.359473  1
  H  H123  1  0.716600  0.905066  0.359473  1
  H  H124  1  1.069264  0.914298  0.344818  1
  H  H125  1  1.088237  0.256393  0.329803  1
  H  H126  1  0.421570  0.923060  0.329803  1
  H  H127  1  0.377747  0.672203  0.331760  1
  H  H128  1  0.711081  0.338869  0.331760  1
  H  H129  1  0.672431  0.653977  0.361221  1
  H  H130  1  1.025163  0.663167  0.346768  1
  H  H131  1  0.358496  0.329834  0.346768  1
  H  H132  1  0.691830  -0.003499  0.346768  1
  H  H133  1  1.044414  0.005536  0.331760  1
  H  H134  1  1.005765  0.320644  0.361221  1
  H  H135  1  0.339098  -0.012690  0.361221  1
  H  H136  1  0.294914  0.736295  0.363036  1
  H  H137  1  0.628247  0.402962  0.363036  1
  H  H138  1  0.647985  0.745431  0.348422  1
  H  H139  1  1.000329  0.754225  0.333656  1
  H  H140  1  0.333662  0.420892  0.333656  1
  H  H141  1  0.666995  0.087559  0.333656  1
  H  H142  1  0.961580  0.069629  0.363036  1
  H  H143  1  0.981318  0.412097  0.348422  1
  H  H144  1  0.314651  0.078764  0.348422  1
  H  H145  1  0.545068  0.467053  0.394550  1
  H  H146  1  0.878402  0.133720  0.394550  1
  H  H147  1  0.897780  0.476072  0.379734  1
  H  H148  1  0.192173  0.458041  0.409397  1
  H  H149  1  0.525506  0.124708  0.409397  1
  H  H150  1  0.858840  0.791374  0.409397  1
  H  H151  1  0.211735  0.800386  0.394550  1
  H  H152  1  0.231113  0.142739  0.379734  1
  H  H153  1  0.564446  0.809406  0.379734  1
  H  H154  1  0.520483  0.558299  0.381606  1
  H  H155  1  0.853816  0.224965  0.381606  1
  H  H156  1  0.814721  0.540223  0.411242  1
  H  H157  1  0.167631  0.549270  0.396431  1
  H  H158  1  0.500964  0.215937  0.396431  1
  H  H159  1  0.834298  0.882604  0.396431  1
  H  H160  1  0.187149  0.891632  0.381606  1
  H  H161  1  1.148054  0.206890  0.411242  1
  H  H162  1  0.481388  0.873557  0.411242  1
  H  H163  1  0.437287  0.622441  0.413083  1
  H  H164  1  0.770620  0.289108  0.413083  1
  H  H165  1  0.790125  0.631456  0.398276  1
  H  H166  1  1.143060  0.640493  0.383490  1
  H  H167  1  0.476393  0.307159  0.383490  1
  H  H168  1  0.809727  -0.026174  0.383490  1
  H  H169  1  1.103953  -0.044225  0.413083  1
  H  H170  1  1.123458  0.298122  0.398276  1
  H  H171  1  0.456791  -0.035211  0.398276  1
  H  H172  1  0.412688  0.713675  0.400095  1
  H  H173  1  0.746022  0.380342  0.400095  1
  H  H174  1  0.765533  0.722684  0.385337  1
  H  H175  1  1.059851  0.704645  0.414944  1
  H  H176  1  0.393184  0.371312  0.414944  1
  H  H177  1  0.726518  0.037979  0.414944  1
  H  H178  1  1.079355  0.047008  0.400095  1
  H  H179  1  1.098866  0.389350  0.385337  1
  H  H180  1  0.432199  0.056017  0.385337  1
  H  H181  1  0.368584  0.462555  0.401979  1
  H  H182  1  0.701917  0.129222  0.401979  1
  H  H183  1  0.721438  0.471559  0.387161  1
  H  H184  1  1.074285  0.480643  0.372383  1
  H  H185  1  0.407619  0.147310  0.372383  1
  H  H186  1  0.740952  0.813977  0.372383  1
  H  H187  1  1.035251  0.795889  0.401979  1
  H  H188  1  1.054771  0.138225  0.387161  1
  H  H189  1  0.388104  0.804892  0.387161  1
  H  H190  1  0.343964  0.553778  0.389014  1
  H  H191  1  0.677297  0.220445  0.389014  1
  H  H192  1  0.696814  0.562844  0.374190  1
  H  H193  1  0.991127  0.544739  0.403840  1
  H  H194  1  0.324460  0.211406  0.403840  1
  H  H195  1  0.657793  0.878073  0.403840  1
  H  H196  1  1.010631  0.887111  0.389014  1
  H  H197  1  1.030147  0.229510  0.374190  1
  H  H198  1  0.363481  0.896177  0.374190  1
  H  H199  1  0.319331  0.645071  0.376028  1
  H  H200  1  0.652664  0.311737  0.376028  1
  H  H201  1  0.613730  0.626961  0.405672  1
  H  H202  1  0.966475  0.635946  0.390878  1
  H  H203  1  0.299808  0.302612  0.390878  1
  H  H204  1  0.633142  -0.030721  0.390878  1
  H  H205  1  0.985998  -0.021596  0.376028  1
  H  H206  1  0.947063  0.293627  0.405672  1
  H  H207  1  0.280397  -0.039706  0.405672  1
  H  H208  1  0.236318  0.709177  0.407520  1
  H  H209  1  0.569651  0.375843  0.407520  1
  H  H210  1  0.589081  0.718157  0.392671  1
  H  H211  1  0.941855  0.727250  0.377920  1
  H  H212  1  0.275188  0.393917  0.377920  1
  H  H213  1  0.608521  0.060584  0.377920  1
  H  H214  1  0.902984  0.042510  0.407520  1
  H  H215  1  0.922414  0.384823  0.392671  1
  H  H216  1  0.255748  0.051490  0.392671  1
  H  H217  1  0.486523  0.439987  0.439028  1
  H  H218  1  0.819856  0.106654  0.439028  1
  H  H219  1  0.839352  0.448990  0.424202  1
  H  H220  1  1.133678  0.430967  0.453861  1
  H  H221  1  0.467011  0.097633  0.453861  1
  H  H222  1  0.800345  0.764300  0.453861  1
  H  H223  1  1.153190  0.773320  0.439028  1
  H  H224  1  0.172685  0.115657  0.424202  1
  H  H225  1  0.506019  0.782324  0.424202  1
  H  H226  1  0.461922  0.531211  0.426056  1
  H  H227  1  0.795255  0.197878  0.426056  1
  H  H228  1  0.756248  0.513165  0.455712  1
  H  H229  1  1.109073  0.522193  0.440890  1
  H  H230  1  0.442407  0.188859  0.440890  1
  H  H231  1  0.775740  0.855526  0.440890  1
  H  H232  1  1.128588  0.864545  0.426056  1
  H  H233  1  1.089582  0.179832  0.455712  1
  H  H234  1  0.422915  0.846499  0.455712  1
  H  H235  1  0.378823  0.595378  0.457565  1
  H  H236  1  0.712156  0.262044  0.457565  1
  H  H237  1  0.731634  0.604396  0.442742  1
  H  H238  1  1.084469  0.613420  0.427922  1
  H  H239  1  0.417802  0.280087  0.427922  1
  H  H240  1  0.751136  -0.053247  0.427922  1
  H  H241  1  1.045490  0.928711  0.457565  1
  H  H242  1  1.064967  0.271062  0.442742  1
  H  H243  1  0.398300  0.937729  0.442742  1
  H  H244  1  0.354214  0.686606  0.444588  1
  H  H245  1  0.687547  0.353273  0.444588  1
  H  H246  1  0.707010  0.695624  0.429771  1
  H  H247  1  1.001381  0.677584  0.459422  1
  H  H248  1  0.334715  0.344250  0.459422  1
  H  H249  1  0.668048  0.010917  0.459422  1
  H  H250  1  1.020880  0.019940  0.444588  1
  H  H251  1  1.040343  0.362291  0.429771  1
  H  H252  1  0.373676  0.028957  0.429771  1
  H  H253  1  0.310108  0.435477  0.446450  1
  H  H254  1  0.643441  0.102144  0.446450  1
  H  H255  1  0.662937  0.444495  0.431621  1
  H  H256  1  1.015723  0.453509  0.416794  1
  H  H257  1  0.349056  0.120175  0.416794  1
  H  H258  1  0.682389  0.786842  0.416794  1
  H  H259  1  0.976774  0.768810  0.446450  1
  H  H260  1  0.996271  0.111162  0.431621  1
  H  H261  1  0.329604  0.777829  0.431621  1
  H  H262  1  0.285505  0.526709  0.433484  1
  H  H263  1  0.618839  0.193376  0.433484  1
  H  H264  1  0.638326  0.535724  0.418646  1
  H  H265  1  0.932659  0.517675  0.448304  1
  H  H266  1  0.265992  0.184341  0.448304  1
  H  H267  1  0.599325  0.851008  0.448304  1
  H  H268  1  0.952172  0.860043  0.433484  1
  H  H269  1  0.971660  0.202390  0.418646  1
  H  H270  1  0.304993  0.869057  0.418646  1
  H  H271  1  0.260914  0.617943  0.420508  1
  H  H272  1  0.594247  0.284610  0.420508  1
  H  H273  1  0.555224  0.599886  0.450148  1
  H  H274  1  0.908046  0.608905  0.435339  1
  H  H275  1  0.241380  0.275571  0.435339  1
  H  H276  1  0.574713  0.942238  0.435339  1
  H  H277  1  0.927580  -0.048724  0.420508  1
  H  H278  1  0.888557  0.266553  0.450148  1
  H  H279  1  0.221891  0.933220  0.450148  1
  H  H280  1  0.177795  0.682098  0.452002  1
  H  H281  1  0.511128  0.348765  0.452002  1
  H  H282  1  0.530611  0.691111  0.437169  1
  H  H283  1  0.883450  0.700134  0.422368  1
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  H  H633  1  0.262832  0.464772  0.672407  1
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  H  H658  1  1.111144  0.368148  0.692995  1
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  H  H667  1  1.021324  0.432092  0.724377  1
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  H  H720  1  0.848383  0.862349  0.705118  1
