# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62289433
_cell_length_b   11.92422592
_cell_length_c   47.92643459
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4356.37459797
_cell_formula_units_Z   108
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  0.820615  0.559299  0.277052  1
  H  H2  1  0.827613  0.254803  0.261196  1
  H  H3  1  0.828251  0.878630  0.297142  1
  H  H4  1  0.572915  0.530998  0.304919  1
  H  H5  1  0.573543  0.208163  0.285790  1
  H  H6  1  0.579879  0.901311  0.269676  1
  H  H7  1  0.318148  0.589521  0.278873  1
  H  H8  1  0.322181  0.284309  0.263845  1
  H  H9  1  0.325385  0.912788  0.299132  1
  H  H10  1  0.070652  0.566000  0.306302  1
  H  H11  1  0.073473  0.245696  0.289402  1
  H  H12  1  0.076128  0.931064  0.271087  1
  H  H13  1  0.827613  0.754803  0.261196  1
  H  H14  1  0.828251  0.378630  0.297142  1
  H  H15  1  0.820615  1.059299  0.277052  1
  H  H16  1  0.573543  0.708163  0.285790  1
  H  H17  1  0.579879  0.401311  0.269676  1
  H  H18  1  0.572915  1.030998  0.304919  1
  H  H19  1  0.322181  0.784309  0.263845  1
  H  H20  1  0.325385  0.412788  0.299132  1
  H  H21  1  0.318148  1.089521  0.278873  1
  H  H22  1  0.073473  0.745696  0.289402  1
  H  H23  1  0.076128  0.431064  0.271087  1
  H  H24  1  0.070652  1.066000  0.306302  1
  H  H25  1  0.824187  0.512593  0.330114  1
  H  H26  1  0.821715  0.193069  0.312610  1
  H  H27  1  0.824404  0.829267  0.346535  1
  H  H28  1  0.572878  0.483966  0.354505  1
  H  H29  1  0.573565  1.166958  0.338199  1
  H  H30  1  0.574987  0.845618  0.320430  1
  H  H31  1  0.322401  0.550209  0.331943  1
  H  H32  1  0.326547  0.228406  0.314332  1
  H  H33  1  0.326267  0.866791  0.348457  1
  H  H34  1  0.073374  0.525157  0.357091  1
  H  H35  1  0.073922  0.205625  0.339799  1
  H  H36  1  0.075267  0.886195  0.323448  1
  H  H37  1  0.821715  0.693069  0.312610  1
  H  H38  1  0.824404  0.329267  0.346535  1
  H  H39  1  0.824187  1.012593  0.330114  1
  H  H40  1  0.573565  0.666958  0.338199  1
  H  H41  1  0.574987  0.345618  0.320430  1
  H  H42  1  0.572878  0.983966  0.354505  1
  H  H43  1  0.326547  0.728406  0.314332  1
  H  H44  1  0.326267  0.366791  0.348457  1
  H  H45  1  0.322401  1.050209  0.331943  1
  H  H46  1  0.073922  0.705625  0.339799  1
  H  H47  1  0.075267  0.386195  0.323448  1
  H  H48  1  0.073374  1.025157  0.357091  1
  H  H49  1  0.823878  0.465981  0.380226  1
  H  H50  1  0.825261  1.148304  0.363478  1
  H  H51  1  0.825316  0.784617  0.397203  1
  H  H52  1  0.573828  0.441467  0.405494  1
  H  H53  1  0.573925  1.122034  0.388385  1
  H  H54  1  0.574382  0.803902  0.371770  1
  H  H55  1  0.324736  0.504882  0.382251  1
  H  H56  1  0.324034  0.186795  0.365524  1
  H  H57  1  0.324808  0.823950  0.399268  1
  H  H58  1  0.073863  0.481948  0.407581  1
  H  H59  1  0.074088  1.163289  0.390793  1
  H  H60  1  0.074395  0.843977  0.373732  1
  H  H61  1  0.825261  0.648304  0.363478  1
  H  H62  1  0.825316  0.284617  0.397203  1
  H  H63  1  0.823878  0.965981  0.380226  1
  H  H64  1  0.573925  0.622034  0.388385  1
  H  H65  1  0.574382  0.303902  0.371770  1
  H  H66  1  0.573828  0.941467  0.405494  1
  H  H67  1  0.324034  0.686795  0.365524  1
  H  H68  1  0.324808  0.323950  0.399268  1
  H  H69  1  0.324736  1.004882  0.382251  1
  H  H70  1  0.074088  0.663289  0.390793  1
  H  H71  1  0.074395  0.343977  0.373732  1
  H  H72  1  0.073863  0.981948  0.407581  1
  H  H73  1  0.824903  0.421474  0.430921  1
  H  H74  1  0.824646  1.102860  0.413997  1
  H  H75  1  0.825008  0.739951  0.447777  1
  H  H76  1  0.574164  0.397835  0.456121  1
  H  H77  1  0.574205  1.079078  0.439260  1
  H  H78  1  0.574285  0.759994  0.422285  1
  H  H79  1  0.324693  0.461388  0.433028  1
  H  H80  1  0.325165  1.142451  0.416085  1
  H  H81  1  0.325213  0.780032  0.449903  1
  H  H82  1  0.074234  0.438563  0.458338  1
  H  H83  1  0.074287  1.119692  0.441392  1
  H  H84  1  0.074346  0.801028  0.424570  1
  H  H85  1  0.824646  0.602860  0.413997  1
  H  H86  1  0.825008  0.239951  0.447777  1
  H  H87  1  0.824903  0.921474  0.430921  1
  H  H88  1  0.574205  0.579078  0.439260  1
  H  H89  1  0.574285  0.259994  0.422285  1
  H  H90  1  0.574164  0.897835  0.456121  1
  H  H91  1  0.325165  0.642451  0.416085  1
  H  H92  1  0.325213  0.280032  0.449903  1
  H  H93  1  0.324693  0.961388  0.433028  1
  H  H94  1  0.074287  0.619692  0.441392  1
  H  H95  1  0.074346  0.301028  0.424570  1
  H  H96  1  0.074234  0.938563  0.458338  1
  H  H97  1  0.825038  0.377226  0.481543  1
  H  H98  1  0.825123  1.058646  0.464675  1
  H  H99  1  0.825154  0.695993  0.498454  1
  H  H100  1  0.574459  0.354328  0.506833  1
  H  H101  1  0.574386  1.035531  0.489936  1
  H  H102  1  0.574363  0.716729  0.473045  1
  H  H103  1  0.325152  0.417683  0.483709  1
  H  H104  1  0.325079  1.098886  0.466813  1
  H  H105  1  0.325175  0.736484  0.500601  1
  H  H106  1  0.074416  0.394567  0.508971  1
  H  H107  1  0.074500  1.075987  0.492103  1
  H  H108  1  0.074384  0.757220  0.475192  1
  H  H109  1  0.825123  0.558646  0.464675  1
  H  H110  1  0.825154  0.195993  0.498454  1
  H  H111  1  0.825038  0.877226  0.481543  1
  H  H112  1  0.574386  0.535531  0.489936  1
  H  H113  1  0.574363  0.216729  0.473045  1
  H  H114  1  0.574459  0.854328  0.506833  1
  H  H115  1  0.325079  0.598886  0.466813  1
  H  H116  1  0.325175  0.236484  0.500601  1
  H  H117  1  0.325152  0.917683  0.483709  1
  H  H118  1  0.074500  0.575987  0.492103  1
  H  H119  1  0.074384  0.257220  0.475192  1
  H  H120  1  0.074416  0.894567  0.508971  1
  H  H121  1  0.825251  0.333522  0.532254  1
  H  H122  1  0.825305  1.014650  0.515308  1
  H  H123  1  0.825193  0.652185  0.549075  1
  H  H124  1  0.574373  0.310763  0.557561  1
  H  H125  1  0.574845  0.991826  0.540618  1
  H  H126  1  0.574325  0.673182  0.523743  1
  H  H127  1  0.325333  0.374136  0.534386  1
  H  H128  1  0.325374  1.055379  0.517524  1
  H  H129  1  0.325253  0.693219  0.551361  1
  H  H130  1  0.074893  0.350354  0.559649  1
  H  H131  1  0.074635  1.031740  0.542725  1
  H  H132  1  0.074530  0.713262  0.525868  1
  H  H133  1  0.825305  0.514650  0.515308  1
  H  H134  1  0.825193  1.152185  0.549075  1
  H  H135  1  0.825251  0.833522  0.532254  1
  H  H136  1  0.574845  0.491826  0.540618  1
  H  H137  1  0.574325  1.173182  0.523743  1
  H  H138  1  0.574373  0.810763  0.557561  1
  H  H139  1  0.325374  0.555379  0.517524  1
  H  H140  1  0.325253  0.193219  0.551361  1
  H  H141  1  0.325333  0.874136  0.534386  1
  H  H142  1  0.074635  0.531740  0.542725  1
  H  H143  1  0.074530  0.213262  0.525868  1
  H  H144  1  0.074893  0.850354  0.559649  1
  H  H145  1  0.825450  0.289924  0.582853  1
  H  H146  1  0.825675  0.971265  0.566065  1
  H  H147  1  0.825143  0.609237  0.599914  1
  H  H148  1  0.575504  0.266419  0.608121  1
  H  H149  1  0.574802  0.948332  0.591395  1
  H  H150  1  0.574731  0.629264  0.574378  1
  H  H151  1  0.325613  0.331180  0.585261  1
  H  H152  1  0.325711  1.011746  0.568151  1
  H  H153  1  0.325156  0.649311  0.601875  1
  H  H154  1  0.074278  0.304910  0.610168  1
  H  H155  1  0.075660  0.987233  0.593420  1
  H  H156  1  0.074223  0.668597  0.576443  1
  H  H157  1  0.825675  0.471265  0.566065  1
  H  H158  1  0.825143  1.109237  0.599914  1
  H  H159  1  0.825450  0.789924  0.582853  1
  H  H160  1  0.574802  0.448332  0.591395  1
  H  H161  1  0.574731  1.129264  0.574378  1
  H  H162  1  0.575504  0.766419  0.608121  1
  H  H163  1  0.325711  0.511746  0.568151  1
  H  H164  1  0.325156  1.149311  0.601875  1
  H  H165  1  0.325613  0.831180  0.585261  1
  H  H166  1  0.075660  0.487233  0.593420  1
  H  H167  1  0.074223  1.168597  0.576443  1
  H  H168  1  0.074278  0.804910  0.610168  1
  H  H169  1  0.825616  0.247589  0.633846  1
  H  H170  1  0.826165  0.928057  0.616554  1
  H  H171  1  0.824271  0.567018  0.650198  1
  H  H172  1  0.572991  0.224808  0.659313  1
  H  H173  1  0.577137  0.903005  0.641702  1
  H  H174  1  0.573271  0.586422  0.625189  1
  H  H175  1  0.325973  0.286256  0.635446  1
  H  H176  1  0.326661  0.969248  0.619141  1
  H  H177  1  0.324551  0.607595  0.653215  1
  H  H178  1  0.077824  0.260144  0.661036  1
  H  H179  1  0.075352  0.940621  0.643532  1
  H  H180  1  0.075134  0.623946  0.627111  1
  H  H181  1  0.826165  0.428057  0.616554  1
  H  H182  1  0.824271  1.067018  0.650198  1
  H  H183  1  0.825616  0.747589  0.633846  1
  H  H184  1  0.577137  0.403005  0.641702  1
  H  H185  1  0.573271  1.086422  0.625189  1
  H  H186  1  0.572991  0.724808  0.659313  1
  H  H187  1  0.326661  0.469248  0.619141  1
  H  H188  1  0.324551  1.107595  0.653215  1
  H  H189  1  0.325973  0.786256  0.635446  1
  H  H190  1  0.075352  0.440621  0.643532  1
  H  H191  1  0.075134  1.123946  0.627111  1
  H  H192  1  0.077824  0.760144  0.661036  1
  H  H193  1  0.826065  0.207517  0.684243  1
  H  H194  1  0.828886  0.887214  0.667344  1
  H  H195  1  0.823410  0.522149  0.702559  1
  H  H196  1  0.577357  1.168904  0.709801  1
  H  H197  1  0.581390  0.863692  0.694772  1
  H  H198  1  0.574153  0.540426  0.674513  1
  H  H199  1  0.325995  0.245050  0.687855  1
  H  H200  1  0.326624  0.922215  0.668727  1
  H  H201  1  0.319659  0.551902  0.703970  1
  H  H202  1  0.071926  0.198410  0.712450  1
  H  H203  1  0.078923  0.893914  0.696593  1
  H  H204  1  0.071287  0.574583  0.676504  1
  H  H205  1  0.828886  0.387214  0.667344  1
  H  H206  1  0.823410  1.022149  0.702559  1
  H  H207  1  0.826065  0.707517  0.684243  1
  H  H208  1  0.581390  0.363692  0.694772  1
  H  H209  1  0.574153  1.040426  0.674513  1
  H  H210  1  0.577357  0.668904  0.709801  1
  H  H211  1  0.326624  0.422215  0.668727  1
  H  H212  1  0.319659  1.051902  0.703970  1
  H  H213  1  0.325995  0.745050  0.687855  1
  H  H214  1  0.078923  0.393914  0.696593  1
  H  H215  1  0.071287  1.074583  0.676504  1
  H  H216  1  0.071926  0.698410  0.712450  1
