# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.35426372
_cell_length_b   19.57292259
_cell_length_c   48.60958936
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   13437.8965338
_cell_formula_units_Z   72
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  0.192235  0.405303  0.336310  1
  H  H2  1  0.692235  0.405303  0.336310  1
  H  H3  1  0.624053  0.768939  0.312500  1
  H  H4  1  0.055871  0.132576  0.288690  1
  H  H5  1  0.124053  0.768939  0.312500  1
  H  H6  1  0.555871  0.132576  0.288690  1
  H  H7  1  0.726326  0.223485  0.348214  1
  H  H8  1  0.226326  0.223485  0.348214  1
  H  H9  1  0.158144  0.587121  0.324405  1
  H  H10  1  0.589962  0.950758  0.300595  1
  H  H11  1  0.658144  0.587121  0.324405  1
  H  H12  1  0.089962  0.950758  0.300595  1
  H  H13  1  0.976326  0.223485  0.348214  1
  H  H14  1  0.476326  0.223485  0.348214  1
  H  H15  1  0.408144  0.587121  0.324405  1
  H  H16  1  0.839962  0.950758  0.300595  1
  H  H17  1  0.908144  0.587121  0.324405  1
  H  H18  1  0.339962  0.950758  0.300595  1
  H  H19  1  0.942235  0.405303  0.336310  1
  H  H20  1  0.442235  0.405303  0.336310  1
  H  H21  1  0.374053  0.768939  0.312500  1
  H  H22  1  0.805871  0.132576  0.288690  1
  H  H23  1  0.874053  0.768939  0.312500  1
  H  H24  1  0.010417  0.041667  0.360119  1
  H  H25  1  0.896780  0.314394  0.407738  1
  H  H26  1  0.396780  0.314394  0.407738  1
  H  H27  1  0.328598  0.678030  0.383929  1
  H  H28  1  0.760417  0.041667  0.360119  1
  H  H29  1  0.828598  0.678030  0.383929  1
  H  H30  1  0.260417  0.041667  0.360119  1
  H  H31  1  0.430871  0.132576  0.419643  1
  H  H32  1  0.930871  0.132576  0.419643  1
  H  H33  1  0.862689  0.496212  0.395833  1
  H  H34  1  0.294508  0.859848  0.372024  1
  H  H35  1  0.362689  0.496212  0.395833  1
  H  H36  1  0.794508  0.859848  0.372024  1
  H  H37  1  0.680871  0.132576  0.419643  1
  H  H38  1  0.180871  0.132576  0.419643  1
  H  H39  1  0.112689  0.496212  0.395833  1
  H  H40  1  0.544508  0.859848  0.372024  1
  H  H41  1  0.612689  0.496212  0.395833  1
  H  H42  1  0.044508  0.859848  0.372024  1
  H  H43  1  0.646780  0.314394  0.407738  1
  H  H44  1  0.146780  0.314394  0.407738  1
  H  H45  1  0.078598  0.678030  0.383929  1
  H  H46  1  0.510417  0.041667  0.360119  1
  H  H47  1  0.578598  0.678030  0.383929  1
  H  H48  1  0.714962  0.950758  0.431548  1
  H  H49  1  0.601326  0.223485  0.479167  1
  H  H50  1  0.101326  0.223485  0.479167  1
  H  H51  1  0.033144  0.587121  0.455357  1
  H  H52  1  0.464962  0.950758  0.431548  1
  H  H53  1  0.533144  0.587121  0.455357  1
  H  H54  1  0.964962  0.950758  0.431548  1
  H  H55  1  0.135417  0.041667  0.491071  1
  H  H56  1  0.635417  0.041667  0.491071  1
  H  H57  1  0.567235  0.405303  0.467262  1
  H  H58  1  0.999053  0.768939  0.443452  1
  H  H59  1  0.067235  0.405303  0.467262  1
  H  H60  1  0.499053  0.768939  0.443452  1
  H  H61  1  0.385417  0.041667  0.491071  1
  H  H62  1  0.885417  0.041667  0.491071  1
  H  H63  1  0.817235  0.405303  0.467262  1
  H  H64  1  0.249053  0.768939  0.443452  1
  H  H65  1  0.317235  0.405303  0.467262  1
  H  H66  1  0.749053  0.768939  0.443452  1
  H  H67  1  0.351326  0.223485  0.479167  1
  H  H68  1  0.851326  0.223485  0.479167  1
  H  H69  1  0.783144  0.587121  0.455357  1
  H  H70  1  0.214962  0.950758  0.431548  1
  H  H71  1  0.283144  0.587121  0.455357  1
  H  H72  1  0.419508  0.859848  0.502976  1
  H  H73  1  0.305871  0.132576  0.550595  1
  H  H74  1  0.805871  0.132576  0.550595  1
  H  H75  1  0.737689  0.496212  0.526786  1
  H  H76  1  0.169508  0.859848  0.502976  1
  H  H77  1  0.237689  0.496212  0.526786  1
  H  H78  1  0.669508  0.859848  0.502976  1
  H  H79  1  0.839962  0.950758  0.562500  1
  H  H80  1  0.339962  0.950758  0.562500  1
  H  H81  1  0.271780  0.314394  0.538690  1
  H  H82  1  0.703598  0.678030  0.514881  1
  H  H83  1  0.771780  0.314394  0.538690  1
  H  H84  1  0.203598  0.678030  0.514881  1
  H  H85  1  0.089962  0.950758  0.562500  1
  H  H86  1  0.589962  0.950758  0.562500  1
  H  H87  1  0.521780  0.314394  0.538690  1
  H  H88  1  0.953598  0.678030  0.514881  1
  H  H89  1  0.021780  0.314394  0.538690  1
  H  H90  1  0.453598  0.678030  0.514881  1
  H  H91  1  0.055871  0.132576  0.550595  1
  H  H92  1  0.555871  0.132576  0.550595  1
  H  H93  1  0.487689  0.496212  0.526786  1
  H  H94  1  0.919508  0.859848  0.502976  1
  H  H95  1  0.987689  0.496212  0.526786  1
  H  H96  1  0.124053  0.768939  0.574405  1
  H  H97  1  0.010417  0.041667  0.622024  1
  H  H98  1  0.510417  0.041667  0.622024  1
  H  H99  1  0.442235  0.405303  0.598214  1
  H  H100  1  0.874053  0.768939  0.574405  1
  H  H101  1  0.942235  0.405303  0.598214  1
  H  H102  1  0.374053  0.768939  0.574405  1
  H  H103  1  0.544508  0.859848  0.633929  1
  H  H104  1  0.044508  0.859848  0.633929  1
  H  H105  1  0.976326  0.223485  0.610119  1
  H  H106  1  0.408144  0.587121  0.586310  1
  H  H107  1  0.476326  0.223485  0.610119  1
  H  H108  1  0.908144  0.587121  0.586310  1
  H  H109  1  0.794508  0.859848  0.633929  1
  H  H110  1  0.294508  0.859848  0.633929  1
  H  H111  1  0.226326  0.223485  0.610119  1
  H  H112  1  0.658144  0.587121  0.586310  1
  H  H113  1  0.726326  0.223485  0.610119  1
  H  H114  1  0.158144  0.587121  0.586310  1
  H  H115  1  0.760417  0.041667  0.622024  1
  H  H116  1  0.260417  0.041667  0.622024  1
  H  H117  1  0.192235  0.405303  0.598214  1
  H  H118  1  0.624053  0.768939  0.574405  1
  H  H119  1  0.692235  0.405303  0.598214  1
  H  H120  1  0.828598  0.678030  0.645833  1
  H  H121  1  0.714962  0.950758  0.693452  1
  H  H122  1  0.214962  0.950758  0.693452  1
  H  H123  1  0.146780  0.314394  0.669643  1
  H  H124  1  0.578598  0.678030  0.645833  1
  H  H125  1  0.646780  0.314394  0.669643  1
  H  H126  1  0.078598  0.678030  0.645833  1
  H  H127  1  0.249053  0.768939  0.705357  1
  H  H128  1  0.749053  0.768939  0.705357  1
  H  H129  1  0.680871  0.132576  0.681548  1
  H  H130  1  0.112689  0.496212  0.657738  1
  H  H131  1  0.180871  0.132576  0.681548  1
  H  H132  1  0.612689  0.496212  0.657738  1
  H  H133  1  0.499053  0.768939  0.705357  1
  H  H134  1  0.999053  0.768939  0.705357  1
  H  H135  1  0.930871  0.132576  0.681548  1
  H  H136  1  0.362689  0.496212  0.657738  1
  H  H137  1  0.430871  0.132576  0.681548  1
  H  H138  1  0.862689  0.496212  0.657738  1
  H  H139  1  0.464962  0.950758  0.693452  1
  H  H140  1  0.964962  0.950758  0.693452  1
  H  H141  1  0.896780  0.314394  0.669643  1
  H  H142  1  0.328598  0.678030  0.645833  1
  H  H143  1  0.396780  0.314394  0.669643  1
  H  H144  1  0.533144  0.587121  0.717262  1
