# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68046324
_cell_length_b   14.15633188
_cell_length_c   47.33911844
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.99345747
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   6096.36420793
_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  0.636678  0.273355  0.304430  1
  H  H2  1  0.136678  0.273355  0.304430  1
  H  H3  1  0.208979  0.917958  0.320303  1
  H  H4  1  0.564376  0.628752  0.288556  1
  H  H5  1  0.708979  0.917958  0.320303  1
  H  H6  1  0.064376  0.628752  0.288556  1
  H  H7  1  0.755388  0.510777  0.330491  1
  H  H8  1  0.255388  0.510777  0.330491  1
  H  H9  1  0.110785  0.221570  0.298745  1
  H  H10  1  0.683087  0.866173  0.314618  1
  H  H11  1  0.610785  0.221570  0.298745  1
  H  H12  1  0.183087  0.866173  0.314618  1
  H  H13  1  0.958979  0.417958  0.320303  1
  H  H14  1  0.458979  0.417958  0.320303  1
  H  H15  1  0.314376  0.128752  0.288556  1
  H  H16  1  0.886678  0.773355  0.304430  1
  H  H17  1  0.814376  0.128752  0.288556  1
  H  H18  1  0.386678  0.773355  0.304430  1
  H  H19  1  0.933087  0.366173  0.314618  1
  H  H20  1  0.433087  0.366173  0.314618  1
  H  H21  1  0.505388  0.010777  0.330491  1
  H  H22  1  0.860785  0.721570  0.298745  1
  H  H23  1  0.005388  0.010777  0.330491  1
  H  H24  1  0.360785  0.721570  0.298745  1
  H  H25  1  0.853583  0.207165  0.352049  1
  H  H26  1  0.353583  0.207165  0.352049  1
  H  H27  1  0.425884  0.851768  0.367922  1
  H  H28  1  0.781281  0.562562  0.336176  1
  H  H29  1  0.925884  0.851768  0.367922  1
  H  H30  1  0.281281  0.562562  0.336176  1
  H  H31  1  0.972293  0.444587  0.378110  1
  H  H32  1  0.472293  0.444587  0.378110  1
  H  H33  1  0.327690  0.155380  0.346364  1
  H  H34  1  0.899992  0.799983  0.362237  1
  H  H35  1  0.827690  0.155380  0.346364  1
  H  H36  1  0.399992  0.799983  0.362237  1
  H  H37  1  0.175884  0.351768  0.367922  1
  H  H38  1  0.675884  0.351768  0.367922  1
  H  H39  1  0.531281  0.062562  0.336176  1
  H  H40  1  0.103583  0.707165  0.352049  1
  H  H41  1  0.031281  0.062562  0.336176  1
  H  H42  1  0.603583  0.707165  0.352049  1
  H  H43  1  0.149992  0.299983  0.362237  1
  H  H44  1  0.649992  0.299983  0.362237  1
  H  H45  1  0.722293  0.944587  0.378110  1
  H  H46  1  0.077690  0.655380  0.346364  1
  H  H47  1  0.222293  0.944587  0.378110  1
  H  H48  1  0.577690  0.655380  0.346364  1
  H  H49  1  0.070487  0.140975  0.399668  1
  H  H50  1  0.570487  0.140975  0.399668  1
  H  H51  1  0.642789  0.785578  0.415541  1
  H  H52  1  0.998186  0.496372  0.383795  1
  H  H53  1  0.142789  0.785578  0.415541  1
  H  H54  1  0.498186  0.496372  0.383795  1
  H  H55  1  0.189198  0.378397  0.425729  1
  H  H56  1  0.689198  0.378397  0.425729  1
  H  H57  1  0.544595  0.089190  0.393983  1
  H  H58  1  0.116897  0.733793  0.409856  1
  H  H59  1  0.044595  0.089190  0.393983  1
  H  H60  1  0.616897  0.733793  0.409856  1
  H  H61  1  0.392789  0.285578  0.415541  1
  H  H62  1  0.892789  0.285578  0.415541  1
  H  H63  1  0.748186  0.996372  0.383795  1
  H  H64  1  0.320487  0.640975  0.399668  1
  H  H65  1  0.248186  0.996372  0.383795  1
  H  H66  1  0.820487  0.640975  0.399668  1
  H  H67  1  0.366897  0.233793  0.409856  1
  H  H68  1  0.866897  0.233793  0.409856  1
  H  H69  1  0.939198  0.878397  0.425729  1
  H  H70  1  0.294595  0.589190  0.393983  1
  H  H71  1  0.439198  0.878397  0.425729  1
  H  H72  1  0.794595  0.589190  0.393983  1
  H  H73  1  0.287392  0.074785  0.447287  1
  H  H74  1  0.787392  0.074785  0.447287  1
  H  H75  1  0.859694  0.719388  0.463160  1
  H  H76  1  0.215091  0.430181  0.431414  1
  H  H77  1  0.359694  0.719388  0.463160  1
  H  H78  1  0.715091  0.430181  0.431414  1
  H  H79  1  0.406103  0.312206  0.473348  1
  H  H80  1  0.906103  0.312206  0.473348  1
  H  H81  1  0.761500  0.023000  0.441602  1
  H  H82  1  0.333802  0.667603  0.457475  1
  H  H83  1  0.261500  0.023000  0.441602  1
  H  H84  1  0.833802  0.667603  0.457475  1
  H  H85  1  0.609694  0.219388  0.463160  1
  H  H86  1  0.109694  0.219388  0.463160  1
  H  H87  1  0.965091  0.930181  0.431414  1
  H  H88  1  0.537392  0.574785  0.447287  1
  H  H89  1  0.465091  0.930181  0.431414  1
  H  H90  1  0.037392  0.574785  0.447287  1
  H  H91  1  0.583802  0.167603  0.457475  1
  H  H92  1  0.083802  0.167603  0.457475  1
  H  H93  1  0.156103  0.812206  0.473348  1
  H  H94  1  0.511500  0.523000  0.441602  1
  H  H95  1  0.656103  0.812206  0.473348  1
  H  H96  1  0.011500  0.523000  0.441602  1
  H  H97  1  0.504297  0.008595  0.494906  1
  H  H98  1  0.004297  0.008595  0.494906  1
  H  H99  1  0.076599  0.653198  0.510779  1
  H  H100  1  0.431996  0.363991  0.479033  1
  H  H101  1  0.576599  0.653198  0.510779  1
  H  H102  1  0.931996  0.363991  0.479033  1
  H  H103  1  0.623008  0.246016  0.520967  1
  H  H104  1  0.123008  0.246016  0.520967  1
  H  H105  1  0.978405  0.956810  0.489221  1
  H  H106  1  0.550707  0.601413  0.505094  1
  H  H107  1  0.478405  0.956810  0.489221  1
  H  H108  1  0.050707  0.601413  0.505094  1
  H  H109  1  0.826599  0.153198  0.510779  1
  H  H110  1  0.326599  0.153198  0.510779  1
  H  H111  1  0.181996  0.863991  0.479033  1
  H  H112  1  0.754297  0.508595  0.494906  1
  H  H113  1  0.681996  0.863991  0.479033  1
  H  H114  1  0.254297  0.508595  0.494906  1
  H  H115  1  0.800707  0.101413  0.505094  1
  H  H116  1  0.300707  0.101413  0.505094  1
  H  H117  1  0.373008  0.746016  0.520967  1
  H  H118  1  0.728405  0.456810  0.489221  1
  H  H119  1  0.873008  0.746016  0.520967  1
  H  H120  1  0.228405  0.456810  0.489221  1
  H  H121  1  0.721202  0.942405  0.542525  1
  H  H122  1  0.221202  0.942405  0.542525  1
  H  H123  1  0.293504  0.587008  0.558398  1
  H  H124  1  0.648901  0.297801  0.526652  1
  H  H125  1  0.793504  0.587008  0.558398  1
  H  H126  1  0.148901  0.297801  0.526652  1
  H  H127  1  0.839913  0.179826  0.568586  1
  H  H128  1  0.339913  0.179826  0.568586  1
  H  H129  1  0.195310  0.890620  0.536840  1
  H  H130  1  0.767611  0.535223  0.552713  1
  H  H131  1  0.695310  0.890620  0.536840  1
  H  H132  1  0.267611  0.535223  0.552713  1
  H  H133  1  0.043504  0.087008  0.558398  1
  H  H134  1  0.543504  0.087008  0.558398  1
  H  H135  1  0.398901  0.797801  0.526652  1
  H  H136  1  0.971202  0.442405  0.542525  1
  H  H137  1  0.898901  0.797801  0.526652  1
  H  H138  1  0.471202  0.442405  0.542525  1
  H  H139  1  0.017611  0.035223  0.552713  1
  H  H140  1  0.517611  0.035223  0.552713  1
  H  H141  1  0.589913  0.679826  0.568586  1
  H  H142  1  0.945310  0.390620  0.536840  1
  H  H143  1  0.089913  0.679826  0.568586  1
  H  H144  1  0.445310  0.390620  0.536840  1
  H  H145  1  0.938107  0.876214  0.590144  1
  H  H146  1  0.438107  0.876214  0.590144  1
  H  H147  1  0.510409  0.520818  0.606017  1
  H  H148  1  0.865806  0.231611  0.574271  1
  H  H149  1  0.010409  0.520818  0.606017  1
  H  H150  1  0.365806  0.231611  0.574271  1
  H  H151  1  0.056818  0.113636  0.616205  1
  H  H152  1  0.556818  0.113636  0.616205  1
  H  H153  1  0.412215  0.824430  0.584459  1
  H  H154  1  0.984516  0.469033  0.600332  1
  H  H155  1  0.912215  0.824430  0.584459  1
  H  H156  1  0.484516  0.469033  0.600332  1
  H  H157  1  0.260409  0.020818  0.606017  1
  H  H158  1  0.760409  0.020818  0.606017  1
  H  H159  1  0.615806  0.731611  0.574271  1
  H  H160  1  0.188107  0.376214  0.590144  1
  H  H161  1  0.115806  0.731611  0.574271  1
  H  H162  1  0.688107  0.376214  0.590144  1
  H  H163  1  0.234516  0.969033  0.600332  1
  H  H164  1  0.734516  0.969033  0.600332  1
  H  H165  1  0.806818  0.613636  0.616205  1
  H  H166  1  0.162215  0.324430  0.584459  1
  H  H167  1  0.306818  0.613636  0.616205  1
  H  H168  1  0.662215  0.324430  0.584459  1
  H  H169  1  0.155012  0.810024  0.637763  1
  H  H170  1  0.655012  0.810024  0.637763  1
  H  H171  1  0.727314  0.454628  0.653636  1
  H  H172  1  0.082711  0.165421  0.621890  1
  H  H173  1  0.227314  0.454628  0.653636  1
  H  H174  1  0.582711  0.165421  0.621890  1
  H  H175  1  0.273723  0.047446  0.663824  1
  H  H176  1  0.773723  0.047446  0.663824  1
  H  H177  1  0.629120  0.758239  0.632078  1
  H  H178  1  0.201421  0.402843  0.647951  1
  H  H179  1  0.129120  0.758239  0.632078  1
  H  H180  1  0.701421  0.402843  0.647951  1
  H  H181  1  0.477314  0.954628  0.653636  1
  H  H182  1  0.977314  0.954628  0.653636  1
  H  H183  1  0.832711  0.665421  0.621890  1
  H  H184  1  0.405012  0.310024  0.637763  1
  H  H185  1  0.332711  0.665421  0.621890  1
  H  H186  1  0.905012  0.310024  0.637763  1
  H  H187  1  0.451421  0.902843  0.647951  1
  H  H188  1  0.951421  0.902843  0.647951  1
  H  H189  1  0.023723  0.547446  0.663824  1
  H  H190  1  0.379120  0.258239  0.632078  1
  H  H191  1  0.523723  0.547446  0.663824  1
  H  H192  1  0.879120  0.258239  0.632078  1
  H  H193  1  0.371917  0.743834  0.685382  1
  H  H194  1  0.871917  0.743834  0.685382  1
  H  H195  1  0.944219  0.388438  0.701255  1
  H  H196  1  0.299615  0.099231  0.669509  1
  H  H197  1  0.444219  0.388438  0.701255  1
  H  H198  1  0.799615  0.099231  0.669509  1
  H  H199  1  0.490628  0.981256  0.711444  1
  H  H200  1  0.990628  0.981256  0.711444  1
  H  H201  1  0.846025  0.692049  0.679697  1
  H  H202  1  0.418326  0.336653  0.695570  1
  H  H203  1  0.346025  0.692049  0.679697  1
  H  H204  1  0.918326  0.336653  0.695570  1
  H  H205  1  0.694219  0.888438  0.701255  1
  H  H206  1  0.194219  0.888438  0.701255  1
  H  H207  1  0.049615  0.599231  0.669509  1
  H  H208  1  0.621917  0.243834  0.685382  1
  H  H209  1  0.549615  0.599231  0.669509  1
  H  H210  1  0.121917  0.243834  0.685382  1
  H  H211  1  0.668326  0.836653  0.695570  1
  H  H212  1  0.168326  0.836653  0.695570  1
  H  H213  1  0.240628  0.481256  0.711444  1
  H  H214  1  0.596025  0.192049  0.679697  1
  H  H215  1  0.740628  0.481256  0.711444  1
  H  H216  1  0.096025  0.192049  0.679697  1
