# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.98791026
_cell_length_b   12.16282228
_cell_length_c   47.83335095
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   59.03084117
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H240
_cell_volume   8474.44175902
_cell_formula_units_Z   120
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  0.790299  0.176332  0.323492  1
  H  H2  1  0.172850  0.209407  0.309000  1
  H  H3  1  0.555401  0.242482  0.294507  1
  H  H4  1  0.790299  0.676332  0.323492  1
  H  H5  1  0.172850  0.709407  0.309000  1
  H  H6  1  0.555401  0.742482  0.294507  1
  H  H7  1  0.736609  0.964920  0.306584  1
  H  H8  1  0.119160  0.997995  0.292091  1
  H  H9  1  0.354057  0.931844  0.321077  1
  H  H10  1  0.736609  0.464920  0.306584  1
  H  H11  1  0.119160  0.497995  0.292091  1
  H  H12  1  0.354057  0.431844  0.321077  1
  H  H13  1  0.760000  0.901428  0.299696  1
  H  H14  1  0.142551  0.934503  0.285203  1
  H  H15  1  0.377449  0.868352  0.314189  1
  H  H16  1  0.760000  0.401428  0.299696  1
  H  H17  1  0.142551  0.434503  0.285203  1
  H  H18  1  0.377449  0.368352  0.314189  1
  H  H19  1  0.813691  0.112840  0.316604  1
  H  H20  1  0.196242  0.145915  0.302112  1
  H  H21  1  0.578793  0.178991  0.287619  1
  H  H22  1  0.813691  0.612840  0.316604  1
  H  H23  1  0.196242  0.645915  0.302112  1
  H  H24  1  0.578793  0.678991  0.287619  1
  H  H25  1  0.642645  0.077106  0.366971  1
  H  H26  1  0.025196  0.110181  0.352478  1
  H  H27  1  0.407748  0.143256  0.337985  1
  H  H28  1  0.642645  0.577106  0.366971  1
  H  H29  1  0.025196  0.610181  0.352478  1
  H  H30  1  0.407748  0.643256  0.337985  1
  H  H31  1  0.588955  0.865694  0.350062  1
  H  H32  1  0.971506  0.898769  0.335570  1
  H  H33  1  0.206404  0.832618  0.364555  1
  H  H34  1  0.588955  0.365694  0.350062  1
  H  H35  1  0.971506  0.398769  0.335570  1
  H  H36  1  0.206404  0.332618  0.364555  1
  H  H37  1  0.612347  0.802202  0.343174  1
  H  H38  1  0.994898  0.835277  0.328682  1
  H  H39  1  0.229796  0.769126  0.357667  1
  H  H40  1  0.612347  0.302202  0.343174  1
  H  H41  1  0.994898  0.335277  0.328682  1
  H  H42  1  0.229796  0.269126  0.357667  1
  H  H43  1  0.666037  0.013614  0.360083  1
  H  H44  1  0.048588  0.046689  0.345590  1
  H  H45  1  0.431139  0.079765  0.331097  1
  H  H46  1  0.666037  0.513614  0.360083  1
  H  H47  1  0.048588  0.546689  0.345590  1
  H  H48  1  0.431139  0.579765  0.331097  1
  H  H49  1  0.494992  0.977880  0.410449  1
  H  H50  1  0.877543  0.010955  0.395956  1
  H  H51  1  0.260094  0.044030  0.381463  1
  H  H52  1  0.494992  0.477880  0.410449  1
  H  H53  1  0.877543  0.510955  0.395956  1
  H  H54  1  0.260094  0.544030  0.381463  1
  H  H55  1  0.441301  0.766468  0.393541  1
  H  H56  1  0.823853  0.799543  0.379048  1
  H  H57  1  0.058750  0.733392  0.408033  1
  H  H58  1  0.441301  0.266468  0.393541  1
  H  H59  1  0.823853  0.299543  0.379048  1
  H  H60  1  0.058750  0.233392  0.408033  1
  H  H61  1  0.464693  0.702976  0.386653  1
  H  H62  1  0.847244  0.736051  0.372160  1
  H  H63  1  0.082142  0.669900  0.401145  1
  H  H64  1  0.464693  0.202976  0.386653  1
  H  H65  1  0.847244  0.236051  0.372160  1
  H  H66  1  0.082142  0.169900  0.401145  1
  H  H67  1  0.518383  0.914388  0.403561  1
  H  H68  1  0.900935  0.947463  0.389068  1
  H  H69  1  0.283486  0.980538  0.374575  1
  H  H70  1  0.518383  0.414388  0.403561  1
  H  H71  1  0.900935  0.447463  0.389068  1
  H  H72  1  0.283486  0.480538  0.374575  1
  H  H73  1  0.347338  0.878654  0.453927  1
  H  H74  1  0.729889  0.911729  0.439434  1
  H  H75  1  0.112441  0.944804  0.424942  1
  H  H76  1  0.347338  0.378654  0.453927  1
  H  H77  1  0.729889  0.411729  0.439434  1
  H  H78  1  0.112441  0.444804  0.424942  1
  H  H79  1  0.293648  0.667241  0.437019  1
  H  H80  1  0.676199  0.700317  0.422526  1
  H  H81  1  0.911097  0.634166  0.451512  1
  H  H82  1  0.293648  0.167241  0.437019  1
  H  H83  1  0.676199  0.200317  0.422526  1
  H  H84  1  0.911097  0.134166  0.451512  1
  H  H85  1  0.317040  0.603750  0.430131  1
  H  H86  1  0.699591  0.636825  0.415638  1
  H  H87  1  0.934488  0.570674  0.444624  1
  H  H88  1  0.317040  0.103750  0.430131  1
  H  H89  1  0.699591  0.136825  0.415638  1
  H  H90  1  0.934488  0.070674  0.444624  1
  H  H91  1  0.370730  0.815162  0.447039  1
  H  H92  1  0.753281  0.848237  0.432546  1
  H  H93  1  0.135832  0.881312  0.418054  1
  H  H94  1  0.370730  0.315162  0.447039  1
  H  H95  1  0.753281  0.348237  0.432546  1
  H  H96  1  0.135832  0.381312  0.418054  1
  H  H97  1  0.199685  0.779427  0.497405  1
  H  H98  1  0.582236  0.812503  0.482913  1
  H  H99  1  0.964787  0.845578  0.468420  1
  H  H100  1  0.199685  0.279427  0.497405  1
  H  H101  1  0.582236  0.312503  0.482913  1
  H  H102  1  0.964787  0.345578  0.468420  1
  H  H103  1  0.145994  0.568015  0.480497  1
  H  H104  1  0.528546  0.601091  0.466004  1
  H  H105  1  0.763443  0.534940  0.494990  1
  H  H106  1  0.145994  0.068015  0.480497  1
  H  H107  1  0.528546  0.101091  0.466004  1
  H  H108  1  0.763443  0.034940  0.494990  1
  H  H109  1  0.169386  0.504524  0.473609  1
  H  H110  1  0.551937  0.537599  0.459116  1
  H  H111  1  0.786835  0.471448  0.488102  1
  H  H112  1  0.169386  0.004524  0.473609  1
  H  H113  1  0.551937  0.037599  0.459116  1
  H  H114  1  0.786835  0.971448  0.488102  1
  H  H115  1  0.223076  0.715936  0.490517  1
  H  H116  1  0.605628  0.749011  0.476025  1
  H  H117  1  0.988179  0.782086  0.461532  1
  H  H118  1  0.223076  0.215936  0.490517  1
  H  H119  1  0.605628  0.249011  0.476025  1
  H  H120  1  0.988179  0.282086  0.461532  1
  H  H121  1  0.052031  0.680201  0.540884  1
  H  H122  1  0.434582  0.713277  0.526391  1
  H  H123  1  0.817133  0.746352  0.511898  1
  H  H124  1  0.052031  0.180201  0.540884  1
  H  H125  1  0.434582  0.213277  0.526391  1
  H  H126  1  0.817133  0.246352  0.511898  1
  H  H127  1  0.998341  0.468789  0.523975  1
  H  H128  1  0.380892  0.501865  0.509483  1
  H  H129  1  0.615790  0.435714  0.538468  1
  H  H130  1  0.998341  0.968789  0.523975  1
  H  H131  1  0.380892  0.001865  0.509483  1
  H  H132  1  0.615790  0.935714  0.538468  1
  H  H133  1  0.021733  0.405297  0.517087  1
  H  H134  1  0.404284  0.438373  0.502595  1
  H  H135  1  0.639181  0.372222  0.531580  1
  H  H136  1  0.021733  0.905297  0.517087  1
  H  H137  1  0.404284  0.938373  0.502595  1
  H  H138  1  0.639181  0.872222  0.531580  1
  H  H139  1  0.075423  0.616710  0.533996  1
  H  H140  1  0.457974  0.649785  0.519503  1
  H  H141  1  0.840525  0.682860  0.505010  1
  H  H142  1  0.075423  0.116710  0.533996  1
  H  H143  1  0.457974  0.149785  0.519503  1
  H  H144  1  0.840525  0.182860  0.505010  1
  H  H145  1  0.904378  0.580975  0.584362  1
  H  H146  1  0.286929  0.614051  0.569869  1
  H  H147  1  0.669480  0.647126  0.555376  1
  H  H148  1  0.904378  0.080975  0.584362  1
  H  H149  1  0.286929  0.114051  0.569869  1
  H  H150  1  0.669480  0.147126  0.555376  1
  H  H151  1  0.850687  0.369563  0.567454  1
  H  H152  1  0.233238  0.402639  0.552961  1
  H  H153  1  0.468136  0.336488  0.581946  1
  H  H154  1  0.850687  0.869563  0.567454  1
  H  H155  1  0.233238  0.902639  0.552961  1
  H  H156  1  0.468136  0.836488  0.581946  1
  H  H157  1  0.874079  0.306071  0.560566  1
  H  H158  1  0.256630  0.339147  0.546073  1
  H  H159  1  0.491528  0.272996  0.575058  1
  H  H160  1  0.874079  0.806071  0.560566  1
  H  H161  1  0.256630  0.839147  0.546073  1
  H  H162  1  0.491528  0.772996  0.575058  1
  H  H163  1  0.927769  0.517483  0.577474  1
  H  H164  1  0.310320  0.550559  0.562981  1
  H  H165  1  0.692872  0.583634  0.548488  1
  H  H166  1  0.927769  0.017483  0.577474  1
  H  H167  1  0.310320  0.050559  0.562981  1
  H  H168  1  0.692872  0.083634  0.548488  1
  H  H169  1  0.756724  0.481749  0.627840  1
  H  H170  1  0.139275  0.514825  0.613347  1
  H  H171  1  0.521826  0.547900  0.598855  1
  H  H172  1  0.756724  0.981749  0.627840  1
  H  H173  1  0.139275  0.014825  0.613347  1
  H  H174  1  0.521826  0.047900  0.598855  1
  H  H175  1  0.703034  0.270337  0.610932  1
  H  H176  1  0.085585  0.303412  0.596439  1
  H  H177  1  0.320483  0.237262  0.625425  1
  H  H178  1  0.703034  0.770337  0.610932  1
  H  H179  1  0.085585  0.803412  0.596439  1
  H  H180  1  0.320483  0.737262  0.625425  1
  H  H181  1  0.726425  0.206845  0.604044  1
  H  H182  1  0.108977  0.239921  0.589551  1
  H  H183  1  0.343874  0.173770  0.618537  1
  H  H184  1  0.726425  0.706845  0.604044  1
  H  H185  1  0.108977  0.739921  0.589551  1
  H  H186  1  0.343874  0.673770  0.618537  1
  H  H187  1  0.780116  0.418257  0.620952  1
  H  H188  1  0.162667  0.451333  0.606459  1
  H  H189  1  0.545218  0.484408  0.591967  1
  H  H190  1  0.780116  0.918257  0.620952  1
  H  H191  1  0.162667  0.951333  0.606459  1
  H  H192  1  0.545218  0.984408  0.591967  1
  H  H193  1  0.609070  0.382523  0.671318  1
  H  H194  1  0.991622  0.415599  0.656826  1
  H  H195  1  0.374173  0.448674  0.642333  1
  H  H196  1  0.609070  0.882523  0.671318  1
  H  H197  1  0.991622  0.915599  0.656826  1
  H  H198  1  0.374173  0.948674  0.642333  1
  H  H199  1  0.555380  0.171111  0.654410  1
  H  H200  1  0.937931  0.204186  0.639917  1
  H  H201  1  0.172829  0.138036  0.668903  1
  H  H202  1  0.555380  0.671111  0.654410  1
  H  H203  1  0.937931  0.704186  0.639917  1
  H  H204  1  0.172829  0.638036  0.668903  1
  H  H205  1  0.578772  0.107619  0.647522  1
  H  H206  1  0.961323  0.140695  0.633029  1
  H  H207  1  0.196221  0.074544  0.662015  1
  H  H208  1  0.578772  0.607619  0.647522  1
  H  H209  1  0.961323  0.640695  0.633029  1
  H  H210  1  0.196221  0.574544  0.662015  1
  H  H211  1  0.632462  0.319031  0.664430  1
  H  H212  1  0.015013  0.352107  0.649938  1
  H  H213  1  0.397565  0.385182  0.635445  1
  H  H214  1  0.632462  0.819031  0.664430  1
  H  H215  1  0.015013  0.852107  0.649938  1
  H  H216  1  0.397565  0.885182  0.635445  1
  H  H217  1  0.461417  0.283297  0.714797  1
  H  H218  1  0.843968  0.316372  0.700304  1
  H  H219  1  0.226519  0.349448  0.685811  1
  H  H220  1  0.461417  0.783297  0.714797  1
  H  H221  1  0.843968  0.816372  0.700304  1
  H  H222  1  0.226519  0.849448  0.685811  1
  H  H223  1  0.407727  0.071885  0.697888  1
  H  H224  1  0.790278  0.104960  0.683396  1
  H  H225  1  0.025175  0.038810  0.712381  1
  H  H226  1  0.407727  0.571885  0.697888  1
  H  H227  1  0.790278  0.604960  0.683396  1
  H  H228  1  0.025175  0.538810  0.712381  1
  H  H229  1  0.431118  0.008393  0.691000  1
  H  H230  1  0.813669  0.041469  0.676508  1
  H  H231  1  0.048567  0.975318  0.705493  1
  H  H232  1  0.431118  0.508393  0.691000  1
  H  H233  1  0.813669  0.541469  0.676508  1
  H  H234  1  0.048567  0.475318  0.705493  1
  H  H235  1  0.484809  0.219805  0.707909  1
  H  H236  1  0.867360  0.252881  0.693416  1
  H  H237  1  0.249911  0.285956  0.678923  1
  H  H238  1  0.484809  0.719805  0.707909  1
  H  H239  1  0.867360  0.752881  0.693416  1
  H  H240  1  0.249911  0.785956  0.678923  1
