# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.54833574
_cell_length_b   12.39491597
_cell_length_c   46.49342871
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.12181090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H468
_cell_volume   9216.78829612
_cell_formula_units_Z   234
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  0.175196  0.418649  0.296449  1
  H  H2  1  0.675196  0.418649  0.296449  1
  H  H3  1  0.892928  0.445573  0.274425  1
  H  H4  1  0.008529  0.085315  0.296449  1
  H  H5  1  0.035653  0.439040  0.284336  1
  H  H6  1  0.226261  0.112239  0.274425  1
  H  H7  1  0.392928  0.445573  0.274425  1
  H  H8  1  0.508529  0.085315  0.296449  1
  H  H9  1  0.535653  0.439040  0.284336  1
  H  H10  1  0.726261  0.112239  0.274425  1
  H  H11  1  0.841862  0.751982  0.296449  1
  H  H12  1  0.868987  0.105707  0.284336  1
  H  H13  1  0.059595  0.778906  0.274425  1
  H  H14  1  0.202320  0.772373  0.284336  1
  H  H15  1  0.341862  0.751982  0.296449  1
  H  H16  1  0.368987  0.105707  0.284336  1
  H  H17  1  0.559595  0.778906  0.274425  1
  H  H18  1  0.702320  0.772373  0.284336  1
  H  H19  1  0.149727  0.602427  0.281838  1
  H  H20  1  0.649727  0.602427  0.281838  1
  H  H21  1  0.788634  0.591184  0.293843  1
  H  H22  1  0.983060  0.269094  0.281838  1
  H  H23  1  0.929118  0.577154  0.305439  1
  H  H24  1  0.121967  0.257850  0.293843  1
  H  H25  1  0.288634  0.591184  0.293843  1
  H  H26  1  0.483060  0.269094  0.281838  1
  H  H27  1  0.429118  0.577154  0.305439  1
  H  H28  1  0.621967  0.257850  0.293843  1
  H  H29  1  0.816394  0.935761  0.281838  1
  H  H30  1  0.762451  0.243821  0.305439  1
  H  H31  1  0.955300  0.924517  0.293843  1
  H  H32  1  0.095785  0.910488  0.305439  1
  H  H33  1  0.316394  0.935761  0.281838  1
  H  H34  1  0.262451  0.243821  0.305439  1
  H  H35  1  0.455300  0.924517  0.293843  1
  H  H36  1  0.595785  0.910488  0.305439  1
  H  H37  1  0.084528  0.381521  0.332113  1
  H  H38  1  0.584528  0.381521  0.332113  1
  H  H39  1  0.810446  0.404957  0.309510  1
  H  H40  1  0.917861  0.048188  0.332113  1
  H  H41  1  0.948476  0.393928  0.321008  1
  H  H42  1  0.143779  0.071624  0.309510  1
  H  H43  1  0.310446  0.404957  0.309510  1
  H  H44  1  0.417861  0.048188  0.332113  1
  H  H45  1  0.448476  0.393928  0.321008  1
  H  H46  1  0.643779  0.071624  0.309510  1
  H  H47  1  0.751195  0.714854  0.332113  1
  H  H48  1  0.781810  0.060594  0.321008  1
  H  H49  1  0.977113  0.738291  0.309510  1
  H  H50  1  0.115143  0.727261  0.321008  1
  H  H51  1  0.251195  0.714854  0.332113  1
  H  H52  1  0.281810  0.060594  0.321008  1
  H  H53  1  0.477113  0.738291  0.309510  1
  H  H54  1  0.615143  0.727261  0.321008  1
  H  H55  1  0.066022  0.564280  0.317783  1
  H  H56  1  0.566022  0.564280  0.317783  1
  H  H57  1  0.703099  0.551060  0.329340  1
  H  H58  1  0.899356  0.230946  0.317783  1
  H  H59  1  0.840609  0.538454  0.340439  1
  H  H60  1  0.036433  0.217727  0.329340  1
  H  H61  1  0.203099  0.551060  0.329340  1
  H  H62  1  0.399356  0.230946  0.317783  1
  H  H63  1  0.340609  0.538454  0.340439  1
  H  H64  1  0.536433  0.217727  0.329340  1
  H  H65  1  0.732689  0.897613  0.317783  1
  H  H66  1  0.673942  0.205121  0.340439  1
  H  H67  1  0.869766  0.884394  0.329340  1
  H  H68  1  0.007275  0.871787  0.340439  1
  H  H69  1  0.232689  0.897613  0.317783  1
  H  H70  1  0.173942  0.205121  0.340439  1
  H  H71  1  0.369766  0.884394  0.329340  1
  H  H72  1  0.507275  0.871787  0.340439  1
  H  H73  1  0.994961  0.342867  0.367048  1
  H  H74  1  0.494961  0.342867  0.367048  1
  H  H75  1  0.720770  0.368010  0.343996  1
  H  H76  1  0.828294  0.009534  0.367048  1
  H  H77  1  0.858065  0.355661  0.355656  1
  H  H78  1  0.054103  0.034676  0.343996  1
  H  H79  1  0.220770  0.368010  0.343996  1
  H  H80  1  0.328294  0.009534  0.367048  1
  H  H81  1  0.358065  0.355661  0.355656  1
  H  H82  1  0.554103  0.034676  0.343996  1
  H  H83  1  0.661628  0.676200  0.367048  1
  H  H84  1  0.691398  0.022327  0.355656  1
  H  H85  1  0.887436  0.701343  0.343996  1
  H  H86  1  0.024731  0.688994  0.355656  1
  H  H87  1  0.161628  0.676200  0.367048  1
  H  H88  1  0.191398  0.022327  0.355656  1
  H  H89  1  0.387436  0.701343  0.343996  1
  H  H90  1  0.524731  0.688994  0.355656  1
  H  H91  1  0.977654  0.526138  0.352190  1
  H  H92  1  0.477654  0.526138  0.352190  1
  H  H93  1  0.614711  0.513080  0.363852  1
  H  H94  1  0.810987  0.192805  0.352190  1
  H  H95  1  0.752091  0.500238  0.375162  1
  H  H96  1  0.948045  0.179747  0.363852  1
  H  H97  1  0.114711  0.513080  0.363852  1
  H  H98  1  0.310987  0.192805  0.352190  1
  H  H99  1  0.252091  0.500238  0.375162  1
  H  H100  1  0.448045  0.179747  0.363852  1
  H  H101  1  0.644320  0.859471  0.352190  1
  H  H102  1  0.585424  0.166905  0.375162  1
  H  H103  1  0.781378  0.846414  0.363852  1
  H  H104  1  0.918757  0.833571  0.375162  1
  H  H105  1  0.144320  0.859471  0.352190  1
  H  H106  1  0.085424  0.166905  0.375162  1
  H  H107  1  0.281378  0.846414  0.363852  1
  H  H108  1  0.418757  0.833571  0.375162  1
  H  H109  1  0.905392  0.304839  0.401617  1
  H  H110  1  0.405392  0.304839  0.401617  1
  H  H111  1  0.631436  0.329995  0.378428  1
  H  H112  1  0.738725  0.971506  0.401617  1
  H  H113  1  0.768374  0.317426  0.390068  1
  H  H114  1  0.964769  0.996662  0.378428  1
  H  H115  1  0.131436  0.329995  0.378428  1
  H  H116  1  0.238725  0.971506  0.401617  1
  H  H117  1  0.268374  0.317426  0.390068  1
  H  H118  1  0.464769  0.996662  0.378428  1
  H  H119  1  0.572058  0.638172  0.401617  1
  H  H120  1  0.601708  0.984092  0.390068  1
  H  H121  1  0.798102  0.663329  0.378428  1
  H  H122  1  0.935041  0.650759  0.390068  1
  H  H123  1  0.072058  0.638172  0.401617  1
  H  H124  1  0.101708  0.984092  0.390068  1
  H  H125  1  0.298102  0.663329  0.378428  1
  H  H126  1  0.435041  0.650759  0.390068  1
  H  H127  1  0.888980  0.488083  0.386556  1
  H  H128  1  0.388980  0.488083  0.386556  1
  H  H129  1  0.525907  0.475351  0.398209  1
  H  H130  1  0.722313  0.154750  0.386556  1
  H  H131  1  0.663052  0.462520  0.409630  1
  H  H132  1  0.859241  0.142018  0.398209  1
  H  H133  1  0.025907  0.475351  0.398209  1
  H  H134  1  0.222313  0.154750  0.386556  1
  H  H135  1  0.163052  0.462520  0.409630  1
  H  H136  1  0.359241  0.142018  0.398209  1
  H  H137  1  0.555646  0.821417  0.386556  1
  H  H138  1  0.496385  0.129186  0.409630  1
  H  H139  1  0.692574  0.808684  0.398209  1
  H  H140  1  0.829718  0.795853  0.409630  1
  H  H141  1  0.055646  0.821417  0.386556  1
  H  H142  1  0.996385  0.129186  0.409630  1
  H  H143  1  0.192574  0.808684  0.398209  1
  H  H144  1  0.329718  0.795853  0.409630  1
  H  H145  1  0.816247  0.266821  0.436113  1
  H  H146  1  0.316247  0.266821  0.436113  1
  H  H147  1  0.542345  0.292025  0.413075  1
  H  H148  1  0.649580  0.933488  0.436113  1
  H  H149  1  0.679253  0.279420  0.424556  1
  H  H150  1  0.875679  0.958692  0.413075  1
  H  H151  1  0.042345  0.292025  0.413075  1
  H  H152  1  0.149580  0.933488  0.436113  1
  H  H153  1  0.179253  0.279420  0.424556  1
  H  H154  1  0.375679  0.958692  0.413075  1
  H  H155  1  0.482913  0.600154  0.436113  1
  H  H156  1  0.512586  0.946087  0.424556  1
  H  H157  1  0.709012  0.625359  0.413075  1
  H  H158  1  0.845919  0.612754  0.424556  1
  H  H159  1  0.982913  0.600154  0.436113  1
  H  H160  1  0.012586  0.946087  0.424556  1
  H  H161  1  0.209012  0.625359  0.413075  1
  H  H162  1  0.345919  0.612754  0.424556  1
  H  H163  1  0.800092  0.449973  0.421046  1
  H  H164  1  0.300092  0.449973  0.421046  1
  H  H165  1  0.437011  0.437385  0.432544  1
  H  H166  1  0.633425  0.116640  0.421046  1
  H  H167  1  0.574057  0.424680  0.444057  1
  H  H168  1  0.770344  0.104052  0.432544  1
  H  H169  1  0.937011  0.437385  0.432544  1
  H  H170  1  0.133425  0.116640  0.421046  1
  H  H171  1  0.074057  0.424680  0.444057  1
  H  H172  1  0.270344  0.104052  0.432544  1
  H  H173  1  0.466758  0.783307  0.421046  1
  H  H174  1  0.407391  0.091347  0.444057  1
  H  H175  1  0.603677  0.770719  0.432544  1
  H  H176  1  0.740724  0.758013  0.444057  1
  H  H177  1  0.966758  0.783307  0.421046  1
  H  H178  1  0.907391  0.091347  0.444057  1
  H  H179  1  0.103677  0.770719  0.432544  1
  H  H180  1  0.240724  0.758013  0.444057  1
  H  H181  1  0.727270  0.228808  0.470571  1
  H  H182  1  0.227270  0.228808  0.470571  1
  H  H183  1  0.453280  0.254101  0.447601  1
  H  H184  1  0.560604  0.895475  0.470571  1
  H  H185  1  0.590283  0.241434  0.459077  1
  H  H186  1  0.786614  0.920767  0.447601  1
  H  H187  1  0.953280  0.254101  0.447601  1
  H  H188  1  0.060604  0.895475  0.470571  1
  H  H189  1  0.090283  0.241434  0.459077  1
  H  H190  1  0.286614  0.920767  0.447601  1
  H  H191  1  0.393937  0.562142  0.470571  1
  H  H192  1  0.423616  0.908101  0.459077  1
  H  H193  1  0.619947  0.587434  0.447601  1
  H  H194  1  0.756950  0.574767  0.459077  1
  H  H195  1  0.893937  0.562142  0.470571  1
  H  H196  1  0.923616  0.908101  0.459077  1
  H  H197  1  0.119947  0.587434  0.447601  1
  H  H198  1  0.256950  0.574767  0.459077  1
  H  H199  1  0.711086  0.412057  0.455512  1
  H  H200  1  0.211086  0.412057  0.455512  1
  H  H201  1  0.348085  0.399436  0.466987  1
  H  H202  1  0.544419  0.078724  0.455512  1
  H  H203  1  0.485091  0.386784  0.478479  1
  H  H204  1  0.681419  0.066103  0.466987  1
  H  H205  1  0.848085  0.399436  0.466987  1
  H  H206  1  0.044419  0.078724  0.455512  1
  H  H207  1  0.985091  0.386784  0.478479  1
  H  H208  1  0.181419  0.066103  0.466987  1
  H  H209  1  0.377752  0.745391  0.455512  1
  H  H210  1  0.318425  0.053450  0.478479  1
  H  H211  1  0.514752  0.732769  0.466987  1
  H  H212  1  0.651758  0.720117  0.478479  1
  H  H213  1  0.877752  0.745391  0.455512  1
  H  H214  1  0.818425  0.053450  0.478479  1
  H  H215  1  0.014752  0.732769  0.466987  1
  H  H216  1  0.151758  0.720117  0.478479  1
  H  H217  1  0.638317  0.190861  0.505034  1
  H  H218  1  0.138317  0.190861  0.505034  1
  H  H219  1  0.364293  0.216150  0.482076  1
  H  H220  1  0.471650  0.857528  0.505034  1
  H  H221  1  0.501310  0.203499  0.493559  1
  H  H222  1  0.697626  0.882817  0.482076  1
  H  H223  1  0.864293  0.216150  0.482076  1
  H  H224  1  0.971650  0.857528  0.505034  1
  H  H225  1  1.001310  0.203499  0.493559  1
  H  H226  1  0.197626  0.882817  0.482076  1
  H  H227  1  0.304983  0.524194  0.505034  1
  H  H228  1  0.334643  0.870165  0.493559  1
  H  H229  1  0.530960  0.549484  0.482076  1
  H  H230  1  0.667977  0.536832  0.493559  1
  H  H231  1  0.804983  0.524194  0.505034  1
  H  H232  1  0.834643  0.870165  0.493559  1
  H  H233  1  0.030960  0.549484  0.482076  1
  H  H234  1  0.167977  0.536832  0.493559  1
  H  H235  1  0.622115  0.374133  0.489971  1
  H  H236  1  0.122115  0.374133  0.489971  1
  H  H237  1  0.259121  0.361495  0.501446  1
  H  H238  1  0.455448  0.040800  0.489971  1
  H  H239  1  0.396138  0.348844  0.512929  1
  H  H240  1  0.592455  0.028162  0.501446  1
  H  H241  1  0.759121  0.361495  0.501446  1
  H  H242  1  0.955448  0.040800  0.489971  1
  H  H243  1  0.896138  0.348844  0.512929  1
  H  H244  1  0.092455  0.028162  0.501446  1
  H  H245  1  0.288781  0.707466  0.489971  1
  H  H246  1  0.229472  0.015510  0.512929  1
  H  H247  1  0.425788  0.694829  0.501446  1
  H  H248  1  0.562805  0.682177  0.512929  1
  H  H249  1  0.788781  0.707466  0.489971  1
  H  H250  1  0.729472  0.015510  0.512929  1
  H  H251  1  0.925788  0.694829  0.501446  1
  H  H252  1  0.062805  0.682177  0.512929  1
  H  H253  1  0.549346  0.152937  0.539493  1
  H  H254  1  0.049346  0.152937  0.539493  1
  H  H255  1  0.275340  0.178210  0.516526  1
  H  H256  1  0.382679  0.819604  0.539493  1
  H  H257  1  0.412346  0.165558  0.528018  1
  H  H258  1  0.608673  0.844877  0.516526  1
  H  H259  1  0.775340  0.178210  0.516526  1
  H  H260  1  0.882679  0.819604  0.539493  1
  H  H261  1  0.912346  0.165558  0.528018  1
  H  H262  1  0.108673  0.844877  0.516526  1
  H  H263  1  0.216012  0.486270  0.539493  1
  H  H264  1  0.245679  0.832225  0.528018  1
  H  H265  1  0.442007  0.511544  0.516526  1
  H  H266  1  0.579013  0.498891  0.528018  1
  H  H267  1  0.716012  0.486270  0.539493  1
  H  H268  1  0.745679  0.832225  0.528018  1
  H  H269  1  0.942007  0.511544  0.516526  1
  H  H270  1  0.079013  0.498891  0.528018  1
  H  H271  1  0.533161  0.336186  0.524434  1
  H  H272  1  0.033161  0.336186  0.524434  1
  H  H273  1  0.170148  0.323560  0.535928  1
  H  H274  1  0.366494  0.002853  0.524434  1
  H  H275  1  0.307151  0.310893  0.547404  1
  H  H276  1  0.503482  0.990227  0.535928  1
  H  H277  1  0.670148  0.323560  0.535928  1
  H  H278  1  0.866494  0.002853  0.524434  1
  H  H279  1  0.807151  0.310893  0.547404  1
  H  H280  1  0.003482  0.990227  0.535928  1
  H  H281  1  0.199828  0.669519  0.524434  1
  H  H282  1  0.140484  0.977560  0.547404  1
  H  H283  1  0.336815  0.656893  0.535928  1
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  H  H347  1  0.128996  0.234999  0.616577  1
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  H  H354  1  0.962329  0.901665  0.616577  1
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  H  H356  1  0.295662  0.568332  0.616577  1
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  H  H358  1  0.462329  0.901665  0.616577  1
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  H  H360  1  0.795662  0.568332  0.616577  1
  H  H361  1  0.282778  0.038856  0.642815  1
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  H  H363  1  0.008341  0.064756  0.619844  1
  H  H364  1  0.116111  0.705523  0.642815  1
  H  H365  1  0.145720  0.051914  0.631153  1
  H  H366  1  0.341674  0.731423  0.619844  1
  H  H367  1  0.508341  0.064756  0.619844  1
  H  H368  1  0.616111  0.705523  0.642815  1
  H  H369  1  0.645720  0.051914  0.631153  1
  H  H370  1  0.841674  0.731423  0.619844  1
  H  H371  1  0.949444  0.372190  0.642815  1
  H  H372  1  0.979053  0.718580  0.631153  1
  H  H373  1  0.175007  0.398089  0.619844  1
  H  H374  1  0.312387  0.385247  0.631153  1
  H  H375  1  0.449444  0.372190  0.642815  1
  H  H376  1  0.479053  0.718580  0.631153  1
  H  H377  1  0.675007  0.398089  0.619844  1
  H  H378  1  0.812387  0.385247  0.631153  1
  H  H379  1  0.265471  0.222127  0.627957  1
  H  H380  1  0.765471  0.222127  0.627957  1
  H  H381  1  0.902367  0.209334  0.639350  1
  H  H382  1  0.098804  0.888794  0.627957  1
  H  H383  1  0.039662  0.196984  0.651010  1
  H  H384  1  0.235700  0.876000  0.639350  1
  H  H385  1  0.402367  0.209334  0.639350  1
  H  H386  1  0.598804  0.888794  0.627957  1
  H  H387  1  0.539662  0.196984  0.651010  1
  H  H388  1  0.735700  0.876000  0.639350  1
  H  H389  1  0.932137  0.555460  0.627957  1
  H  H390  1  0.872995  0.863651  0.651010  1
  H  H391  1  0.069033  0.542667  0.639350  1
  H  H392  1  0.206328  0.530318  0.651010  1
  H  H393  1  0.432137  0.555460  0.627957  1
  H  H394  1  0.372995  0.863651  0.651010  1
  H  H395  1  0.569033  0.542667  0.639350  1
  H  H396  1  0.706328  0.530318  0.651010  1
  H  H397  1  0.194409  1.000714  0.677222  1
  H  H398  1  0.694409  1.000714  0.677222  1
  H  H399  1  0.919823  0.026540  0.654566  1
  H  H400  1  0.027742  0.667381  0.677222  1
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  H  H407  1  0.861076  0.334048  0.677222  1
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  H  H449  1  0.497980  0.321173  0.689566  1
  H  H450  1  0.638464  0.307144  0.701162  1
  H  H451  1  0.085236  0.146345  0.698556  1
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  H  H453  1  0.724778  0.125954  0.710669  1
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  H  H458  1  0.418569  0.813012  0.698556  1
  H  H459  1  0.367503  0.119422  0.720580  1
  H  H460  1  0.558111  0.792621  0.710669  1
  H  H461  1  0.751902  0.479679  0.698556  1
  H  H462  1  0.700837  0.786088  0.720580  1
  H  H463  1  0.891445  0.459287  0.710669  1
  H  H464  1  0.034170  0.452755  0.720580  1
  H  H465  1  0.251902  0.479679  0.698556  1
  H  H466  1  0.200837  0.786088  0.720580  1
  H  H467  1  0.391445  0.459287  0.710669  1
  H  H468  1  0.534170  0.452755  0.720580  1
