# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56292284
_cell_length_b   8.79260139
_cell_length_c   46.15193216
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.98597068
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   3222.09330802
_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  0.811998  0.809914  0.328140  1
  H  H2  1  0.551101  0.769103  0.353068  1
  H  H3  1  0.281785  0.724918  0.374826  1
  H  H4  1  0.563881  0.043685  0.339203  1
  H  H5  1  0.079233  0.313575  0.325532  1
  H  H6  1  0.828170  0.079296  0.315091  1
  H  H7  1  0.812362  0.280178  0.347972  1
  H  H8  1  0.533092  0.229914  0.372839  1
  H  H9  1  0.068614  0.575400  0.315776  1
  H  H10  1  0.571349  0.845393  0.305724  1
  H  H11  1  0.314773  0.549380  0.337557  1
  H  H12  1  0.046893  0.501881  0.362953  1
  H  H13  1  0.781785  0.724918  0.374826  1
  H  H14  1  0.311998  0.809914  0.328140  1
  H  H15  1  0.051101  0.769103  0.353068  1
  H  H16  1  0.579233  0.313575  0.325532  1
  H  H17  1  0.328170  0.079296  0.315091  1
  H  H18  1  0.063881  0.043685  0.339203  1
  H  H19  1  0.568614  0.575400  0.315776  1
  H  H20  1  0.312362  0.280178  0.347972  1
  H  H21  1  0.033092  0.229914  0.372839  1
  H  H22  1  0.814773  0.549380  0.337557  1
  H  H23  1  0.546893  0.501881  0.362953  1
  H  H24  1  0.071349  0.845393  0.305724  1
  H  H25  1  1.002702  0.673258  0.398564  1
  H  H26  1  0.726417  0.623036  0.420328  1
  H  H27  1  0.446330  0.571587  0.444200  1
  H  H28  1  0.959886  0.850497  0.431759  1
  H  H29  1  0.293138  0.000459  0.362425  1
  H  H30  1  1.016326  0.952456  0.385761  1
  H  H31  1  0.974432  0.128424  0.419159  1
  H  H32  1  0.738646  0.901032  0.408269  1
  H  H33  1  0.255541  0.180912  0.395010  1
  H  H34  1  0.772064  0.453120  0.384222  1
  H  H35  1  0.490613  0.400908  0.408578  1
  H  H36  1  0.213060  0.350979  0.430523  1
  H  H37  1  0.946330  0.571587  0.444200  1
  H  H38  1  0.502702  0.673258  0.398564  1
  H  H39  1  0.226417  0.623036  0.420328  1
  H  H40  1  0.793138  0.000459  0.362425  1
  H  H41  1  0.516326  0.952456  0.385761  1
  H  H42  1  0.459886  0.850497  0.431759  1
  H  H43  1  0.755541  0.180912  0.395010  1
  H  H44  1  0.474432  0.128424  0.419159  1
  H  H45  1  0.238646  0.901032  0.408269  1
  H  H46  1  0.990613  0.400908  0.408578  1
  H  H47  1  0.713060  0.350979  0.430523  1
  H  H48  1  0.272064  0.453120  0.384222  1
  H  H49  1  0.153908  0.247826  0.476794  1
  H  H50  1  0.888134  0.469035  0.490087  1
  H  H51  1  0.829341  0.365581  0.536134  1
  H  H52  1  0.168837  0.520949  0.466263  1
  H  H53  1  0.681792  0.798322  0.454129  1
  H  H54  1  0.402223  0.747427  0.477719  1
  H  H55  1  0.357384  0.921688  0.511498  1
  H  H56  1  0.123724  0.695340  0.500091  1
  H  H57  1  0.415998  0.025188  0.465394  1
  H  H58  1  0.931919  0.298710  0.454667  1
  H  H59  1  0.696800  0.077820  0.441442  1
  H  H60  1  0.372753  0.195307  0.500811  1
  H  H61  1  0.329341  0.365581  0.536134  1
  H  H62  1  0.653908  0.247826  0.476794  1
  H  H63  1  0.388134  0.469035  0.490087  1
  H  H64  1  0.181792  0.798322  0.454129  1
  H  H65  1  0.902223  0.747427  0.477719  1
  H  H66  1  0.668837  0.520949  0.466263  1
  H  H67  1  0.915998  0.025188  0.465394  1
  H  H68  1  0.857384  0.921688  0.511498  1
  H  H69  1  0.623724  0.695340  0.500091  1
  H  H70  1  0.196800  0.077820  0.441442  1
  H  H71  1  0.872753  0.195307  0.500811  1
  H  H72  1  0.431919  0.298710  0.454667  1
  H  H73  1  0.594708  0.144184  0.522968  1
  H  H74  1  0.270661  0.261671  0.582338  1
  H  H75  1  0.035542  0.040781  0.569112  1
  H  H76  1  0.551463  0.314303  0.558385  1
  H  H77  1  0.843737  0.644151  0.523688  1
  H  H78  1  0.610077  0.417803  0.512281  1
  H  H79  1  0.565238  0.592064  0.546061  1
  H  H80  1  0.285668  0.541169  0.569651  1
  H  H81  1  0.798624  0.818542  0.557517  1
  H  H82  1  0.138120  0.973910  0.487646  1
  H  H83  1  0.079327  0.870456  0.533692  1
  H  H84  1  0.813553  0.091665  0.546986  1
  H  H85  1  0.535542  0.040781  0.569112  1
  H  H86  1  0.094708  0.144184  0.522968  1
  H  H87  1  0.770661  0.261671  0.582338  1
  H  H88  1  0.343737  0.644151  0.523688  1
  H  H89  1  0.110077  0.417803  0.512281  1
  H  H90  1  0.051463  0.314303  0.558385  1
  H  H91  1  0.298624  0.818542  0.557517  1
  H  H92  1  0.065238  0.592064  0.546061  1
  H  H93  1  0.785668  0.541169  0.569651  1
  H  H94  1  0.579327  0.870456  0.533692  1
  H  H95  1  0.313553  0.091665  0.546986  1
  H  H96  1  0.638120  0.973910  0.487646  1
  H  H97  1  0.754401  0.988512  0.593256  1
  H  H98  1  0.476847  0.938583  0.615201  1
  H  H99  1  0.195397  0.886371  0.639558  1
  H  H100  1  0.711920  0.158579  0.628769  1
  H  H101  1  0.228815  0.438460  0.615510  1
  H  H102  1  0.993028  0.211067  0.604620  1
  H  H103  1  0.951135  0.387035  0.638018  1
  H  H104  1  0.674322  0.339032  0.661355  1
  H  H105  1  1.007575  0.488994  0.592020  1
  H  H106  1  0.521130  0.767904  0.579580  1
  H  H107  1  0.241044  0.716455  0.603451  1
  H  H108  1  0.964759  0.666233  0.625215  1
  H  H109  1  0.695397  0.886371  0.639558  1
  H  H110  1  0.254401  0.988512  0.593256  1
  H  H111  1  0.976847  0.938583  0.615201  1
  H  H112  1  0.728815  0.438460  0.615510  1
  H  H113  1  0.493028  0.211067  0.604620  1
  H  H114  1  0.211920  0.158579  0.628769  1
  H  H115  1  0.507575  0.488994  0.592020  1
  H  H116  1  0.451135  0.387035  0.638018  1
  H  H117  1  0.174322  0.339032  0.661355  1
  H  H118  1  0.741044  0.716455  0.603451  1
  H  H119  1  0.464759  0.666233  0.625215  1
  H  H120  1  0.021130  0.767904  0.579580  1
  H  H121  1  0.920567  0.837610  0.660826  1
  H  H122  1  0.652688  0.790112  0.686223  1
  H  H123  1  0.396112  0.494098  0.718055  1
  H  H124  1  0.898846  0.764091  0.708003  1
  H  H125  1  0.434369  0.109578  0.650940  1
  H  H126  1  0.155099  0.059313  0.675808  1
  H  H127  1  0.139291  0.260195  0.708688  1
  H  H128  1  0.888227  0.025916  0.698247  1
  H  H129  1  0.403579  0.295806  0.684577  1
  H  H130  1  0.685676  0.614573  0.648954  1
  H  H131  1  0.416359  0.570388  0.670712  1
  H  H132  1  0.155462  0.529577  0.695640  1
  H  H133  1  0.896112  0.494098  0.718055  1
  H  H134  1  0.420567  0.837610  0.660826  1
  H  H135  1  0.152688  0.790112  0.686223  1
  H  H136  1  0.934369  0.109578  0.650940  1
  H  H137  1  0.655099  0.059313  0.675808  1
  H  H138  1  0.398846  0.764091  0.708003  1
  H  H139  1  0.903579  0.295806  0.684577  1
  H  H140  1  0.639291  0.260195  0.708688  1
  H  H141  1  0.388227  0.025916  0.698247  1
  H  H142  1  0.916359  0.570388  0.670712  1
  H  H143  1  0.655462  0.529577  0.695640  1
  H  H144  1  0.185676  0.614573  0.648954  1
