# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12420831
_cell_length_b   6.54116028
_cell_length_c   46.03374067
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.82816413
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H156
_cell_volume   2675.14557432
_cell_formula_units_Z   78
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  0.318124  0.809069  0.293389  1
  H  H2  1  0.984791  0.809069  0.293389  1
  H  H3  1  0.651457  0.809069  0.293389  1
  H  H4  1  0.622994  0.357947  0.284914  1
  H  H5  1  0.289661  0.357947  0.284914  1
  H  H6  1  0.956327  0.357947  0.284914  1
  H  H7  1  0.369334  0.721132  0.308636  1
  H  H8  1  0.036001  0.721132  0.308636  1
  H  H9  1  0.702667  0.721132  0.308636  1
  H  H10  1  0.674204  0.270009  0.300161  1
  H  H11  1  0.340871  0.270009  0.300161  1
  H  H12  1  0.007537  0.270009  0.300161  1
  H  H13  1  0.429925  0.617085  0.326676  1
  H  H14  1  0.096591  0.617085  0.326676  1
  H  H15  1  0.763258  0.617085  0.326676  1
  H  H16  1  0.734795  0.165963  0.318201  1
  H  H17  1  0.401461  0.165963  0.318201  1
  H  H18  1  0.068128  0.165963  0.318201  1
  H  H19  1  0.485485  0.521677  0.343218  1
  H  H20  1  0.152152  0.521677  0.343218  1
  H  H21  1  0.818819  0.521677  0.343218  1
  H  H22  1  0.790355  0.070554  0.334744  1
  H  H23  1  0.457022  0.070554  0.334744  1
  H  H24  1  0.123689  0.070554  0.334744  1
  H  H25  1  0.543118  0.422710  0.360378  1
  H  H26  1  0.209785  0.422710  0.360378  1
  H  H27  1  0.876451  0.422710  0.360378  1
  H  H28  1  0.847988  0.971587  0.351903  1
  H  H29  1  0.514655  0.971587  0.351903  1
  H  H30  1  0.181321  0.971587  0.351903  1
  H  H31  1  0.599753  0.325457  0.377240  1
  H  H32  1  0.266419  0.325457  0.377240  1
  H  H33  1  0.933086  0.325457  0.377240  1
  H  H34  1  0.904623  0.874334  0.368765  1
  H  H35  1  0.571289  0.874334  0.368765  1
  H  H36  1  0.237956  0.874334  0.368765  1
  H  H37  1  0.656841  0.227426  0.394237  1
  H  H38  1  0.323508  0.227426  0.394237  1
  H  H39  1  0.990174  0.227426  0.394237  1
  H  H40  1  0.961711  0.776303  0.385762  1
  H  H41  1  0.628378  0.776303  0.385762  1
  H  H42  1  0.295044  0.776303  0.385762  1
  H  H43  1  0.713717  0.129759  0.411171  1
  H  H44  1  0.380383  0.129759  0.411171  1
  H  H45  1  0.047050  0.129759  0.411171  1
  H  H46  1  0.018587  0.678636  0.402696  1
  H  H47  1  0.685253  0.678636  0.402696  1
  H  H48  1  0.351920  0.678636  0.402696  1
  H  H49  1  0.770690  0.031923  0.428134  1
  H  H50  1  0.437357  0.031923  0.428134  1
  H  H51  1  0.104024  0.031923  0.428134  1
  H  H52  1  0.075560  0.580801  0.419660  1
  H  H53  1  0.742227  0.580801  0.419660  1
  H  H54  1  0.408894  0.580801  0.419660  1
  H  H55  1  0.827619  0.934166  0.445084  1
  H  H56  1  0.494285  0.934166  0.445084  1
  H  H57  1  0.160952  0.934166  0.445084  1
  H  H58  1  0.132489  0.483044  0.436609  1
  H  H59  1  0.799155  0.483044  0.436609  1
  H  H60  1  0.465822  0.483044  0.436609  1
  H  H61  1  0.884568  0.836373  0.462040  1
  H  H62  1  0.551235  0.836373  0.462040  1
  H  H63  1  0.217901  0.836373  0.462040  1
  H  H64  1  0.189438  0.385250  0.453565  1
  H  H65  1  0.856105  0.385250  0.453565  1
  H  H66  1  0.522771  0.385250  0.453565  1
  H  H67  1  0.941507  0.738597  0.478993  1
  H  H68  1  0.608174  0.738597  0.478993  1
  H  H69  1  0.274841  0.738597  0.478993  1
  H  H70  1  0.246377  0.287474  0.470518  1
  H  H71  1  0.913044  0.287474  0.470518  1
  H  H72  1  0.579711  0.287474  0.470518  1
  H  H73  1  0.998452  0.640812  0.495947  1
  H  H74  1  0.665119  0.640812  0.495947  1
  H  H75  1  0.331785  0.640812  0.495947  1
  H  H76  1  0.303322  0.189689  0.487472  1
  H  H77  1  0.969989  0.189689  0.487472  1
  H  H78  1  0.636655  0.189689  0.487472  1
  H  H79  1  0.055393  0.543032  0.512900  1
  H  H80  1  0.722060  0.543032  0.512900  1
  H  H81  1  0.388727  0.543032  0.512900  1
  H  H82  1  0.360263  0.091910  0.504426  1
  H  H83  1  0.026930  0.091910  0.504426  1
  H  H84  1  0.693597  0.091910  0.504426  1
  H  H85  1  0.112338  0.445248  0.529855  1
  H  H86  1  0.779004  0.445248  0.529855  1
  H  H87  1  0.445671  0.445248  0.529855  1
  H  H88  1  0.417208  0.994125  0.521380  1
  H  H89  1  0.083874  0.994125  0.521380  1
  H  H90  1  0.750541  0.994125  0.521380  1
  H  H91  1  0.169277  0.347471  0.546808  1
  H  H92  1  0.835944  0.347471  0.546808  1
  H  H93  1  0.502610  0.347471  0.546808  1
  H  H94  1  0.474147  0.896349  0.538333  1
  H  H95  1  0.140814  0.896349  0.538333  1
  H  H96  1  0.807480  0.896349  0.538333  1
  H  H97  1  0.226227  0.249678  0.563764  1
  H  H98  1  0.892893  0.249678  0.563764  1
  H  H99  1  0.559560  0.249678  0.563764  1
  H  H100  1  0.531097  0.798555  0.555289  1
  H  H101  1  0.197763  0.798555  0.555289  1
  H  H102  1  0.864430  0.798555  0.555289  1
  H  H103  1  0.283155  0.151921  0.580713  1
  H  H104  1  0.949821  0.151921  0.580713  1
  H  H105  1  0.616488  0.151921  0.580713  1
  H  H106  1  0.588025  0.700798  0.572239  1
  H  H107  1  0.254691  0.700798  0.572239  1
  H  H108  1  0.921358  0.700798  0.572239  1
  H  H109  1  0.340129  0.054086  0.597677  1
  H  H110  1  0.006795  0.054086  0.597677  1
  H  H111  1  0.673462  0.054086  0.597677  1
  H  H112  1  0.644999  0.602963  0.589202  1
  H  H113  1  0.311665  0.602963  0.589202  1
  H  H114  1  0.978332  0.602963  0.589202  1
  H  H115  1  0.397004  0.956419  0.614611  1
  H  H116  1  0.063671  0.956419  0.614611  1
  H  H117  1  0.730338  0.956419  0.614611  1
  H  H118  1  0.701874  0.505296  0.606136  1
  H  H119  1  0.368541  0.505296  0.606136  1
  H  H120  1  0.035208  0.505296  0.606136  1
  H  H121  1  0.454092  0.858387  0.631608  1
  H  H122  1  0.120759  0.858387  0.631608  1
  H  H123  1  0.787426  0.858387  0.631608  1
  H  H124  1  0.758962  0.407264  0.623133  1
  H  H125  1  0.425629  0.407264  0.623133  1
  H  H126  1  0.092296  0.407264  0.623133  1
  H  H127  1  0.510727  0.761134  0.648470  1
  H  H128  1  0.177394  0.761134  0.648470  1
  H  H129  1  0.844060  0.761134  0.648470  1
  H  H130  1  0.815597  0.310012  0.639995  1
  H  H131  1  0.482264  0.310012  0.639995  1
  H  H132  1  0.148930  0.310012  0.639995  1
  H  H133  1  0.568360  0.662168  0.665629  1
  H  H134  1  0.235026  0.662168  0.665629  1
  H  H135  1  0.901693  0.662168  0.665629  1
  H  H136  1  0.873230  0.211045  0.657155  1
  H  H137  1  0.539896  0.211045  0.657155  1
  H  H138  1  0.206563  0.211045  0.657155  1
  H  H139  1  0.623920  0.566759  0.682172  1
  H  H140  1  0.290587  0.566759  0.682172  1
  H  H141  1  0.957254  0.566759  0.682172  1
  H  H142  1  0.928790  0.115636  0.673697  1
  H  H143  1  0.595457  0.115636  0.673697  1
  H  H144  1  0.262124  0.115636  0.673697  1
  H  H145  1  0.684511  0.462713  0.700212  1
  H  H146  1  0.351178  0.462713  0.700212  1
  H  H147  1  0.017845  0.462713  0.700212  1
  H  H148  1  0.989381  0.011590  0.691737  1
  H  H149  1  0.656048  0.011590  0.691737  1
  H  H150  1  0.322715  0.011590  0.691737  1
  H  H151  1  0.735721  0.374775  0.715459  1
  H  H152  1  0.402388  0.374775  0.715459  1
  H  H153  1  0.069054  0.374775  0.715459  1
  H  H154  1  0.040591  0.923652  0.706984  1
  H  H155  1  0.707258  0.923652  0.706984  1
  H  H156  1  0.373924  0.923652  0.706984  1
