# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93599554
_cell_length_b   12.38500410
_cell_length_c   47.02003409
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.70612570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4377.34918661
_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  0.465427  0.534884  0.282033  1
  H  H2  1  0.965427  0.534884  0.282033  1
  H  H3  1  0.861939  0.875135  0.275952  1
  H  H4  1  0.038275  0.191197  0.289772  1
  H  H5  1  0.361939  0.875135  0.275952  1
  H  H6  1  0.538275  0.191197  0.289772  1
  H  H7  1  0.341422  0.687790  0.289398  1
  H  H8  1  0.841422  0.687790  0.289398  1
  H  H9  1  0.758445  0.037481  0.281625  1
  H  H10  1  0.190365  0.382903  0.273697  1
  H  H11  1  0.258445  0.037481  0.281625  1
  H  H12  1  0.690365  0.382903  0.273697  1
  H  H13  1  0.192991  0.510504  0.309491  1
  H  H14  1  0.692991  0.510504  0.309491  1
  H  H15  1  0.602380  0.849114  0.300725  1
  H  H16  1  0.772555  0.170638  0.317186  1
  H  H17  1  0.102380  0.849114  0.300725  1
  H  H18  1  0.272555  0.170638  0.317186  1
  H  H19  1  0.090099  0.671800  0.315895  1
  H  H20  1  0.590099  0.671800  0.315895  1
  H  H21  1  0.505345  0.012724  0.308309  1
  H  H22  1  0.924439  0.347576  0.298661  1
  H  H23  1  0.005345  0.012724  0.308309  1
  H  H24  1  0.424439  0.347576  0.298661  1
  H  H25  1  0.931850  0.489143  0.333271  1
  H  H26  1  0.431850  0.489143  0.333271  1
  H  H27  1  0.346897  0.829361  0.325788  1
  H  H28  1  0.511912  0.150583  0.341861  1
  H  H29  1  0.846897  0.829361  0.325788  1
  H  H30  1  0.011912  0.150583  0.341861  1
  H  H31  1  0.836223  0.651773  0.340521  1
  H  H32  1  0.336223  0.651773  0.340521  1
  H  H33  1  0.250378  0.990358  0.332342  1
  H  H34  1  0.670408  0.330118  0.324190  1
  H  H35  1  0.750378  0.990358  0.332342  1
  H  H36  1  0.170408  0.330118  0.324190  1
  H  H37  1  0.674764  0.469954  0.358530  1
  H  H38  1  0.174764  0.469954  0.358530  1
  H  H39  1  0.090874  0.809971  0.350480  1
  H  H40  1  0.254677  0.129894  0.366702  1
  H  H41  1  0.590874  0.809971  0.350480  1
  H  H42  1  0.754677  0.129894  0.366702  1
  H  H43  1  0.580465  0.630991  0.364958  1
  H  H44  1  0.080465  0.630991  0.364958  1
  H  H45  1  0.996917  0.970988  0.357067  1
  H  H46  1  0.416457  0.311470  0.348922  1
  H  H47  1  0.496917  0.970988  0.357067  1
  H  H48  1  0.916457  0.311470  0.348922  1
  H  H49  1  0.418295  0.450249  0.383147  1
  H  H50  1  0.918295  0.450249  0.383147  1
  H  H51  1  0.835276  0.789781  0.375123  1
  H  H52  1  0.999024  0.110116  0.391441  1
  H  H53  1  0.335276  0.789781  0.375123  1
  H  H54  1  0.499024  0.110116  0.391441  1
  H  H55  1  0.326038  0.611604  0.389639  1
  H  H56  1  0.826038  0.611604  0.389639  1
  H  H57  1  0.743155  0.951255  0.381478  1
  H  H58  1  0.161679  0.291199  0.373470  1
  H  H59  1  0.243155  0.951255  0.381478  1
  H  H60  1  0.661679  0.291199  0.373470  1
  H  H61  1  0.162905  0.430231  0.407934  1
  H  H62  1  0.662905  0.430231  0.407934  1
  H  H63  1  0.580514  0.769919  0.399760  1
  H  H64  1  0.744065  0.090177  0.416139  1
  H  H65  1  0.080514  0.769919  0.399760  1
  H  H66  1  0.244065  0.090177  0.416139  1
  H  H67  1  0.071234  0.591615  0.414175  1
  H  H68  1  0.571234  0.591615  0.414175  1
  H  H69  1  0.488922  0.931551  0.406050  1
  H  H70  1  0.907274  0.271601  0.397948  1
  H  H71  1  0.988922  0.931551  0.406050  1
  H  H72  1  0.407274  0.271601  0.397948  1
  H  H73  1  0.907830  0.410320  0.432580  1
  H  H74  1  0.407830  0.410320  0.432580  1
  H  H75  1  0.325823  0.750191  0.424432  1
  H  H76  1  0.489266  0.070264  0.440810  1
  H  H77  1  0.825823  0.750191  0.424432  1
  H  H78  1  0.989266  0.070264  0.440810  1
  H  H79  1  0.816444  0.571824  0.438835  1
  H  H80  1  0.316444  0.571824  0.438835  1
  H  H81  1  0.234304  0.911726  0.430638  1
  H  H82  1  0.652659  0.251624  0.422488  1
  H  H83  1  0.734304  0.911726  0.430638  1
  H  H84  1  0.152659  0.251624  0.422488  1
  H  H85  1  0.652971  0.390363  0.457248  1
  H  H86  1  0.152971  0.390363  0.457248  1
  H  H87  1  0.071076  0.730272  0.449058  1
  H  H88  1  0.234548  0.050388  0.465463  1
  H  H89  1  0.571076  0.730272  0.449058  1
  H  H90  1  0.734548  0.050388  0.465463  1
  H  H91  1  0.561601  0.551922  0.463448  1
  H  H92  1  0.061601  0.551922  0.463448  1
  H  H93  1  0.979652  0.891885  0.455272  1
  H  H94  1  0.397986  0.231818  0.447073  1
  H  H95  1  0.479652  0.891885  0.455272  1
  H  H96  1  0.897986  0.231818  0.447073  1
  H  H97  1  0.398174  0.370465  0.481887  1
  H  H98  1  0.898174  0.370465  0.481887  1
  H  H99  1  0.816327  0.710415  0.473708  1
  H  H100  1  0.979814  0.030502  0.490108  1
  H  H101  1  0.316327  0.710415  0.473708  1
  H  H102  1  0.479814  0.030502  0.490108  1
  H  H103  1  0.306793  0.532044  0.488093  1
  H  H104  1  0.806793  0.532044  0.488093  1
  H  H105  1  0.724904  0.871993  0.479897  1
  H  H106  1  0.143243  0.211935  0.471693  1
  H  H107  1  0.224904  0.871993  0.479897  1
  H  H108  1  0.643243  0.211935  0.471693  1
  H  H109  1  0.143422  0.350575  0.506534  1
  H  H110  1  0.643422  0.350575  0.506534  1
  H  H111  1  0.561533  0.690524  0.498337  1
  H  H112  1  0.725082  0.010633  0.514738  1
  H  H113  1  0.061533  0.690524  0.498337  1
  H  H114  1  0.225082  0.010633  0.514738  1
  H  H115  1  0.051999  0.512154  0.512722  1
  H  H116  1  0.551999  0.512154  0.512722  1
  H  H117  1  0.470152  0.852103  0.504544  1
  H  H118  1  0.888512  0.192067  0.496322  1
  H  H119  1  0.970152  0.852103  0.504544  1
  H  H120  1  0.388512  0.192067  0.496322  1
  H  H121  1  0.888674  0.330683  0.531158  1
  H  H122  1  0.388674  0.330683  0.531158  1
  H  H123  1  0.306725  0.670646  0.522982  1
  H  H124  1  0.470339  0.990750  0.539357  1
  H  H125  1  0.806725  0.670646  0.522982  1
  H  H126  1  0.970339  0.990750  0.539357  1
  H  H127  1  0.797249  0.492296  0.537373  1
  H  H128  1  0.297249  0.492296  0.537373  1
  H  H129  1  0.215354  0.832206  0.529182  1
  H  H130  1  0.633778  0.172181  0.520967  1
  H  H131  1  0.715354  0.832206  0.529182  1
  H  H132  1  0.133778  0.172181  0.520967  1
  H  H133  1  0.634021  0.310842  0.555792  1
  H  H134  1  0.134021  0.310842  0.555792  1
  H  H135  1  0.051882  0.650744  0.547595  1
  H  H136  1  0.215666  0.970944  0.563943  1
  H  H137  1  0.551882  0.650744  0.547595  1
  H  H138  1  0.715666  0.970944  0.563943  1
  H  H139  1  0.542502  0.472377  0.561998  1
  H  H140  1  0.042502  0.472377  0.561998  1
  H  H141  1  0.960496  0.812248  0.553850  1
  H  H142  1  0.379060  0.152304  0.545620  1
  H  H143  1  0.460496  0.812248  0.553850  1
  H  H144  1  0.879060  0.152304  0.545620  1
  H  H145  1  0.379403  0.291017  0.580380  1
  H  H146  1  0.879403  0.291017  0.580380  1
  H  H147  1  0.797092  0.630953  0.572255  1
  H  H148  1  0.961052  0.950967  0.588482  1
  H  H149  1  0.297092  0.630953  0.572255  1
  H  H150  1  0.461052  0.950967  0.588482  1
  H  H151  1  0.287811  0.452649  0.586671  1
  H  H152  1  0.787811  0.452649  0.586671  1
  H  H153  1  0.705420  0.792337  0.578496  1
  H  H154  1  0.124261  0.132391  0.570291  1
  H  H155  1  0.205420  0.792337  0.578496  1
  H  H156  1  0.624261  0.132391  0.570291  1
  H  H157  1  0.125171  0.271313  0.604952  1
  H  H158  1  0.625171  0.271313  0.604952  1
  H  H159  1  0.542288  0.610965  0.596792  1
  H  H160  1  0.706647  0.931369  0.612961  1
  H  H161  1  0.042288  0.610965  0.596792  1
  H  H162  1  0.206647  0.931369  0.612961  1
  H  H163  1  0.033049  0.432787  0.611307  1
  H  H164  1  0.533049  0.432787  0.611307  1
  H  H165  1  0.450031  0.772319  0.603283  1
  H  H166  1  0.869302  0.112453  0.594990  1
  H  H167  1  0.950031  0.772319  0.603283  1
  H  H168  1  0.369302  0.112453  0.594990  1
  H  H169  1  0.871409  0.251580  0.629363  1
  H  H170  1  0.371409  0.251580  0.629363  1
  H  H171  1  0.287861  0.591577  0.621473  1
  H  H172  1  0.451869  0.911098  0.637508  1
  H  H173  1  0.787861  0.591577  0.621473  1
  H  H174  1  0.951869  0.911098  0.637508  1
  H  H175  1  0.777452  0.412597  0.635950  1
  H  H176  1  0.277452  0.412597  0.635950  1
  H  H177  1  0.193562  0.752614  0.627901  1
  H  H178  1  0.613649  0.092675  0.619728  1
  H  H179  1  0.693562  0.752614  0.627901  1
  H  H180  1  0.113649  0.092675  0.619728  1
  H  H181  1  0.617948  0.232210  0.654088  1
  H  H182  1  0.117948  0.232210  0.654088  1
  H  H183  1  0.032103  0.570795  0.645909  1
  H  H184  1  0.197917  0.892450  0.662241  1
  H  H185  1  0.532103  0.570795  0.645909  1
  H  H186  1  0.697917  0.892450  0.662241  1
  H  H187  1  0.521429  0.393207  0.660643  1
  H  H188  1  0.021429  0.393207  0.660643  1
  H  H189  1  0.936476  0.733425  0.653159  1
  H  H190  1  0.356414  0.071986  0.644569  1
  H  H191  1  0.436476  0.733425  0.653159  1
  H  H192  1  0.856414  0.071986  0.644569  1
  H  H193  1  0.362981  0.209844  0.678121  1
  H  H194  1  0.862981  0.209844  0.678121  1
  H  H195  1  0.778227  0.550769  0.670535  1
  H  H196  1  0.943886  0.874992  0.687770  1
  H  H197  1  0.278227  0.550769  0.670535  1
  H  H198  1  0.443886  0.874992  0.687770  1
  H  H199  1  0.265946  0.373454  0.685705  1
  H  H200  1  0.765946  0.373454  0.685705  1
  H  H201  1  0.675335  0.712064  0.676940  1
  H  H202  1  0.095771  0.051931  0.669244  1
  H  H203  1  0.175335  0.712064  0.676940  1
  H  H204  1  0.595771  0.051931  0.669244  1
  H  H205  1  0.109881  0.185087  0.704805  1
  H  H206  1  0.609881  0.185087  0.704805  1
  H  H207  1  0.526904  0.534778  0.697032  1
  H  H208  1  0.677961  0.839665  0.712733  1
  H  H209  1  0.026904  0.534778  0.697032  1
  H  H210  1  0.177961  0.839665  0.712733  1
  H  H211  1  0.006387  0.347433  0.710478  1
  H  H212  1  0.506387  0.347433  0.710478  1
  H  H213  1  0.402899  0.687684  0.704397  1
  H  H214  1  0.830051  0.031371  0.696658  1
  H  H215  1  0.902899  0.687684  0.704397  1
  H  H216  1  0.330051  0.031371  0.696658  1
