# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.50062209
_cell_length_b   16.02833597
_cell_length_c   46.93294010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.90712387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H264
_cell_volume   9211.34973132
_cell_formula_units_Z   132
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  0.163176  0.659685  0.315446  1
  H  H2  1  0.663176  0.659685  0.315446  1
  H  H3  1  0.508487  0.350308  0.288779  1
  H  H4  1  0.085832  0.004997  0.302112  1
  H  H5  1  0.008487  0.350308  0.288779  1
  H  H6  1  0.585832  0.004997  0.302112  1
  H  H7  1  0.919165  0.504997  0.302112  1
  H  H8  1  0.419165  0.504997  0.302112  1
  H  H9  1  0.496509  0.159685  0.315446  1
  H  H10  1  0.841821  0.850308  0.288779  1
  H  H11  1  0.996509  0.159685  0.315446  1
  H  H12  1  0.341821  0.850308  0.288779  1
  H  H13  1  0.894659  0.455984  0.297888  1
  H  H14  1  0.394659  0.455984  0.297888  1
  H  H15  1  0.472003  0.110673  0.311221  1
  H  H16  1  0.817315  0.801296  0.284554  1
  H  H17  1  0.972003  0.110673  0.311221  1
  H  H18  1  0.317315  0.801296  0.284554  1
  H  H19  1  0.138670  0.610673  0.311221  1
  H  H20  1  0.638670  0.610673  0.311221  1
  H  H21  1  0.483981  0.301296  0.284554  1
  H  H22  1  0.061325  0.955984  0.297888  1
  H  H23  1  0.983981  0.301296  0.284554  1
  H  H24  1  0.561325  0.955984  0.297888  1
  H  H25  1  0.395209  0.623751  0.355446  1
  H  H26  1  0.895209  0.623751  0.355446  1
  H  H27  1  0.740520  0.314374  0.328779  1
  H  H28  1  0.317864  0.969062  0.342112  1
  H  H29  1  0.240520  0.314374  0.328779  1
  H  H30  1  0.817864  0.969062  0.342112  1
  H  H31  1  0.151198  0.469062  0.342112  1
  H  H32  1  0.651198  0.469062  0.342112  1
  H  H33  1  0.728542  0.123751  0.355446  1
  H  H34  1  0.073853  0.814374  0.328779  1
  H  H35  1  0.228542  0.123751  0.355446  1
  H  H36  1  0.573853  0.814374  0.328779  1
  H  H37  1  0.126691  0.420050  0.337888  1
  H  H38  1  0.626691  0.420050  0.337888  1
  H  H39  1  0.704036  0.074738  0.351221  1
  H  H40  1  0.049347  0.765361  0.324554  1
  H  H41  1  0.204036  0.074738  0.351221  1
  H  H42  1  0.549347  0.765361  0.324554  1
  H  H43  1  0.370702  0.574738  0.351221  1
  H  H44  1  0.870702  0.574738  0.351221  1
  H  H45  1  0.716014  0.265361  0.324554  1
  H  H46  1  0.293358  0.920050  0.337888  1
  H  H47  1  0.216014  0.265361  0.324554  1
  H  H48  1  0.793358  0.920050  0.337888  1
  H  H49  1  0.627241  0.587816  0.395446  1
  H  H50  1  0.127241  0.587816  0.395446  1
  H  H51  1  0.972553  0.278439  0.368779  1
  H  H52  1  0.549897  0.933127  0.382112  1
  H  H53  1  0.472553  0.278439  0.368779  1
  H  H54  1  0.049897  0.933127  0.382112  1
  H  H55  1  0.383230  0.433127  0.382112  1
  H  H56  1  0.883230  0.433127  0.382112  1
  H  H57  1  0.960575  0.087816  0.395446  1
  H  H58  1  0.305886  0.778439  0.368779  1
  H  H59  1  0.460575  0.087816  0.395446  1
  H  H60  1  0.805886  0.778439  0.368779  1
  H  H61  1  0.358724  0.384115  0.377888  1
  H  H62  1  0.858724  0.384115  0.377888  1
  H  H63  1  0.936068  0.038804  0.391221  1
  H  H64  1  0.281380  0.729427  0.364554  1
  H  H65  1  0.436068  0.038804  0.391221  1
  H  H66  1  0.781380  0.729427  0.364554  1
  H  H67  1  0.602735  0.538804  0.391221  1
  H  H68  1  0.102735  0.538804  0.391221  1
  H  H69  1  0.948047  0.229427  0.364554  1
  H  H70  1  0.525391  0.884115  0.377888  1
  H  H71  1  0.448047  0.229427  0.364554  1
  H  H72  1  0.025391  0.884115  0.377888  1
  H  H73  1  0.859274  0.551881  0.435446  1
  H  H74  1  0.359274  0.551881  0.435446  1
  H  H75  1  0.204586  0.242504  0.408779  1
  H  H76  1  0.781930  0.897193  0.422112  1
  H  H77  1  0.704586  0.242504  0.408779  1
  H  H78  1  0.281930  0.897193  0.422112  1
  H  H79  1  0.615263  0.397193  0.422112  1
  H  H80  1  0.115263  0.397193  0.422112  1
  H  H81  1  0.192607  0.051881  0.435446  1
  H  H82  1  0.537919  0.742504  0.408779  1
  H  H83  1  0.692607  0.051881  0.435446  1
  H  H84  1  0.037919  0.742504  0.408779  1
  H  H85  1  0.590757  0.348180  0.417888  1
  H  H86  1  0.090757  0.348180  0.417888  1
  H  H87  1  0.168101  0.002869  0.431221  1
  H  H88  1  0.513413  0.693492  0.404554  1
  H  H89  1  0.668101  0.002869  0.431221  1
  H  H90  1  0.013413  0.693492  0.404554  1
  H  H91  1  0.834768  0.502869  0.431221  1
  H  H92  1  0.334768  0.502869  0.431221  1
  H  H93  1  0.180079  0.193492  0.404554  1
  H  H94  1  0.757424  0.848180  0.417888  1
  H  H95  1  0.680079  0.193492  0.404554  1
  H  H96  1  0.257424  0.848180  0.417888  1
  H  H97  1  0.091307  0.515947  0.475446  1
  H  H98  1  0.591307  0.515947  0.475446  1
  H  H99  1  0.436618  0.206570  0.448779  1
  H  H100  1  0.013962  0.861258  0.462112  1
  H  H101  1  0.936618  0.206570  0.448779  1
  H  H102  1  0.513962  0.861258  0.462112  1
  H  H103  1  0.847296  0.361258  0.462112  1
  H  H104  1  0.347296  0.361258  0.462112  1
  H  H105  1  0.424640  0.015947  0.475446  1
  H  H106  1  0.769952  0.706570  0.448779  1
  H  H107  1  0.924640  0.015947  0.475446  1
  H  H108  1  0.269952  0.706570  0.448779  1
  H  H109  1  0.822790  0.312246  0.457888  1
  H  H110  1  0.322790  0.312246  0.457888  1
  H  H111  1  0.400134  0.966934  0.471221  1
  H  H112  1  0.745445  0.657557  0.444554  1
  H  H113  1  0.900134  0.966934  0.471221  1
  H  H114  1  0.245445  0.657557  0.444554  1
  H  H115  1  0.066800  0.466934  0.471221  1
  H  H116  1  0.566800  0.466934  0.471221  1
  H  H117  1  0.412112  0.157557  0.444554  1
  H  H118  1  0.989456  0.812246  0.457888  1
  H  H119  1  0.912112  0.157557  0.444554  1
  H  H120  1  0.489456  0.812246  0.457888  1
  H  H121  1  0.323339  0.480012  0.515446  1
  H  H122  1  0.823339  0.480012  0.515446  1
  H  H123  1  0.668651  0.170635  0.488779  1
  H  H124  1  0.245995  0.825324  0.502112  1
  H  H125  1  0.168651  0.170635  0.488779  1
  H  H126  1  0.745995  0.825324  0.502112  1
  H  H127  1  0.079329  0.325324  0.502112  1
  H  H128  1  0.579329  0.325324  0.502112  1
  H  H129  1  0.656673  0.980012  0.515446  1
  H  H130  1  0.001984  0.670635  0.488779  1
  H  H131  1  0.156673  0.980012  0.515446  1
  H  H132  1  0.501984  0.670635  0.488779  1
  H  H133  1  0.054822  0.276311  0.497888  1
  H  H134  1  0.554822  0.276311  0.497888  1
  H  H135  1  0.632167  0.931000  0.511221  1
  H  H136  1  0.977478  0.621623  0.484554  1
  H  H137  1  0.132167  0.931000  0.511221  1
  H  H138  1  0.477478  0.621623  0.484554  1
  H  H139  1  0.298833  0.431000  0.511221  1
  H  H140  1  0.798833  0.431000  0.511221  1
  H  H141  1  0.644145  0.121623  0.484554  1
  H  H142  1  0.221489  0.776311  0.497888  1
  H  H143  1  0.144145  0.121623  0.484554  1
  H  H144  1  0.721489  0.776311  0.497888  1
  H  H145  1  0.555372  0.444078  0.555446  1
  H  H146  1  0.055372  0.444078  0.555446  1
  H  H147  1  0.900684  0.134701  0.528779  1
  H  H148  1  0.478028  0.789389  0.542112  1
  H  H149  1  0.400684  0.134701  0.528779  1
  H  H150  1  0.978028  0.789389  0.542112  1
  H  H151  1  0.311361  0.289389  0.542112  1
  H  H152  1  0.811361  0.289389  0.542112  1
  H  H153  1  0.888705  0.944078  0.555446  1
  H  H154  1  0.234017  0.634701  0.528779  1
  H  H155  1  0.388705  0.944078  0.555446  1
  H  H156  1  0.734017  0.634701  0.528779  1
  H  H157  1  0.286855  0.240377  0.537888  1
  H  H158  1  0.786855  0.240377  0.537888  1
  H  H159  1  0.864199  0.895065  0.551221  1
  H  H160  1  0.209511  0.585688  0.524554  1
  H  H161  1  0.364199  0.895065  0.551221  1
  H  H162  1  0.709511  0.585688  0.524554  1
  H  H163  1  0.530866  0.395065  0.551221  1
  H  H164  1  0.030866  0.395065  0.551221  1
  H  H165  1  0.876177  0.085688  0.524554  1
  H  H166  1  0.453522  0.740377  0.537888  1
  H  H167  1  0.376177  0.085688  0.524554  1
  H  H168  1  0.953522  0.740377  0.537888  1
  H  H169  1  0.787405  0.408143  0.595446  1
  H  H170  1  0.287405  0.408143  0.595446  1
  H  H171  1  0.132716  0.098766  0.568779  1
  H  H172  1  0.710061  0.753454  0.582112  1
  H  H173  1  0.632716  0.098766  0.568779  1
  H  H174  1  0.210061  0.753454  0.582112  1
  H  H175  1  0.543394  0.253454  0.582112  1
  H  H176  1  0.043394  0.253454  0.582112  1
  H  H177  1  0.120738  0.908143  0.595446  1
  H  H178  1  0.466050  0.598766  0.568779  1
  H  H179  1  0.620738  0.908143  0.595446  1
  H  H180  1  0.966050  0.598766  0.568779  1
  H  H181  1  0.518888  0.204442  0.577888  1
  H  H182  1  0.018888  0.204442  0.577888  1
  H  H183  1  0.096232  0.859130  0.591221  1
  H  H184  1  0.441543  0.549754  0.564554  1
  H  H185  1  0.596232  0.859130  0.591221  1
  H  H186  1  0.941543  0.549754  0.564554  1
  H  H187  1  0.762899  0.359130  0.591221  1
  H  H188  1  0.262899  0.359130  0.591221  1
  H  H189  1  0.108210  0.049754  0.564554  1
  H  H190  1  0.685554  0.704442  0.577888  1
  H  H191  1  0.608210  0.049754  0.564554  1
  H  H192  1  0.185554  0.704442  0.577888  1
  H  H193  1  0.019437  0.372208  0.635446  1
  H  H194  1  0.519437  0.372208  0.635446  1
  H  H195  1  0.364749  0.062831  0.608779  1
  H  H196  1  0.942093  0.717520  0.622112  1
  H  H197  1  0.864749  0.062831  0.608779  1
  H  H198  1  0.442093  0.717520  0.622112  1
  H  H199  1  0.775427  0.217520  0.622112  1
  H  H200  1  0.275427  0.217520  0.622112  1
  H  H201  1  0.352771  0.872208  0.635446  1
  H  H202  1  0.698082  0.562831  0.608779  1
  H  H203  1  0.852771  0.872208  0.635446  1
  H  H204  1  0.198082  0.562831  0.608779  1
  H  H205  1  0.750920  0.168507  0.617888  1
  H  H206  1  0.250920  0.168507  0.617888  1
  H  H207  1  0.328265  0.823196  0.631221  1
  H  H208  1  0.673576  0.513819  0.604554  1
  H  H209  1  0.828265  0.823196  0.631221  1
  H  H210  1  0.173576  0.513819  0.604554  1
  H  H211  1  0.994931  0.323196  0.631221  1
  H  H212  1  0.494931  0.323196  0.631221  1
  H  H213  1  0.340243  0.013819  0.604554  1
  H  H214  1  0.917587  0.668507  0.617888  1
  H  H215  1  0.840243  0.013819  0.604554  1
  H  H216  1  0.417587  0.668507  0.617888  1
  H  H217  1  0.251470  0.336274  0.675446  1
  H  H218  1  0.751470  0.336274  0.675446  1
  H  H219  1  0.596782  0.026897  0.648779  1
  H  H220  1  0.174126  0.681585  0.662112  1
  H  H221  1  0.096782  0.026897  0.648779  1
  H  H222  1  0.674126  0.681585  0.662112  1
  H  H223  1  0.007459  0.181585  0.662112  1
  H  H224  1  0.507459  0.181585  0.662112  1
  H  H225  1  0.584804  0.836274  0.675446  1
  H  H226  1  0.930115  0.526897  0.648779  1
  H  H227  1  0.084804  0.836274  0.675446  1
  H  H228  1  0.430115  0.526897  0.648779  1
  H  H229  1  0.982953  0.132573  0.657888  1
  H  H230  1  0.482953  0.132573  0.657888  1
  H  H231  1  0.560297  0.787261  0.671221  1
  H  H232  1  0.905609  0.477884  0.644554  1
  H  H233  1  0.060297  0.787261  0.671221  1
  H  H234  1  0.405609  0.477884  0.644554  1
  H  H235  1  0.226964  0.287261  0.671221  1
  H  H236  1  0.726964  0.287261  0.671221  1
  H  H237  1  0.572276  0.977884  0.644554  1
  H  H238  1  0.149620  0.632573  0.657888  1
  H  H239  1  0.072276  0.977884  0.644554  1
  H  H240  1  0.649620  0.632573  0.657888  1
  H  H241  1  0.483503  0.300339  0.715446  1
  H  H242  1  0.983503  0.300339  0.715446  1
  H  H243  1  0.828814  0.990962  0.688779  1
  H  H244  1  0.406159  0.645651  0.702112  1
  H  H245  1  0.328814  0.990962  0.688779  1
  H  H246  1  0.906159  0.645651  0.702112  1
  H  H247  1  0.239492  0.145651  0.702112  1
  H  H248  1  0.739492  0.145651  0.702112  1
  H  H249  1  0.816836  0.800339  0.715446  1
  H  H250  1  0.162148  0.490962  0.688779  1
  H  H251  1  0.316836  0.800339  0.715446  1
  H  H252  1  0.662148  0.490962  0.688779  1
  H  H253  1  0.214986  0.096638  0.697888  1
  H  H254  1  0.714986  0.096638  0.697888  1
  H  H255  1  0.792330  0.751327  0.711221  1
  H  H256  1  0.137642  0.441950  0.684554  1
  H  H257  1  0.292330  0.751327  0.711221  1
  H  H258  1  0.637642  0.441950  0.684554  1
  H  H259  1  0.458997  0.251327  0.711221  1
  H  H260  1  0.958997  0.251327  0.711221  1
  H  H261  1  0.804308  0.941950  0.684554  1
  H  H262  1  0.381652  0.596638  0.697888  1
  H  H263  1  0.304308  0.941950  0.684554  1
  H  H264  1  0.881652  0.596638  0.697888  1
