# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78069875
_cell_length_b   15.22744359
_cell_length_c   50.47870438
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2906.07803525
_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  1.002536  0.866153  0.237747  1
  H  H2  1  1.001365  0.338062  0.263130  1
  H  H3  1  1.000899  -0.034330  0.271051  1
  H  H4  1  0.997404  0.479595  0.244093  1
  H  H5  1  0.930812  0.101055  0.249350  1
  H  H6  1  0.924607  0.584580  0.276826  1
  H  H7  1  0.922002  0.204533  0.282659  1
  H  H8  1  0.927210  0.718947  0.255285  1
  H  H9  1  0.501365  0.838062  0.263130  1
  H  H10  1  0.502536  0.366153  0.237747  1
  H  H11  1  0.497404  -0.020405  0.244093  1
  H  H12  1  0.500899  0.465670  0.271051  1
  H  H13  1  0.424607  0.084580  0.276826  1
  H  H14  1  0.430812  0.601055  0.249350  1
  H  H15  1  0.427210  0.218947  0.255285  1
  H  H16  1  0.422002  0.704533  0.282659  1
  H  H17  1  1.003044  0.826588  0.288407  1
  H  H18  1  1.004897  0.312732  0.313653  1
  H  H19  1  1.005792  0.934400  0.319924  1
  H  H20  1  1.004098  0.447195  0.294897  1
  H  H21  1  0.919356  0.070721  0.301857  1
  H  H22  1  0.918186  0.555730  0.326261  1
  H  H23  1  0.918220  0.178215  0.332697  1
  H  H24  1  0.919683  0.692083  0.307691  1
  H  H25  1  0.504897  0.812732  0.313653  1
  H  H26  1  0.503044  0.326588  0.288407  1
  H  H27  1  0.504098  0.947195  0.294897  1
  H  H28  1  0.505792  0.434400  0.319924  1
  H  H29  1  0.418186  0.055730  0.326261  1
  H  H30  1  0.419356  0.570721  0.301857  1
  H  H31  1  0.419683  0.192083  0.307691  1
  H  H32  1  0.418220  0.678215  0.332697  1
  H  H33  1  1.006535  0.799495  0.338663  1
  H  H34  1  1.007680  0.285742  0.363670  1
  H  H35  1  1.007690  0.907197  0.369907  1
  H  H36  1  1.006992  0.420789  0.344838  1
  H  H37  1  0.917491  0.042309  0.351182  1
  H  H38  1  0.917150  0.528551  0.376137  1
  H  H39  1  0.917146  0.150306  0.382373  1
  H  H40  1  0.917478  0.663964  0.357398  1
  H  H41  1  0.507680  0.785742  0.363670  1
  H  H42  1  0.506535  0.299495  0.338663  1
  H  H43  1  0.506992  0.920789  0.344838  1
  H  H44  1  0.507690  0.407197  0.369907  1
  H  H45  1  0.417150  0.028551  0.376137  1
  H  H46  1  0.417491  0.542309  0.351182  1
  H  H47  1  0.417478  0.163964  0.357398  1
  H  H48  1  0.417146  0.650306  0.382373  1
  H  H49  1  1.008068  0.771711  0.388579  1
  H  H50  1  1.008307  0.258037  0.413553  1
  H  H51  1  1.008361  0.879644  0.419786  1
  H  H52  1  1.008128  0.393474  0.394852  1
  H  H53  1  0.916836  0.014913  0.401121  1
  H  H54  1  0.916653  0.501146  0.426056  1
  H  H55  1  0.916739  0.122839  0.432288  1
  H  H56  1  0.916874  0.636522  0.407322  1
  H  H57  1  0.508307  0.758037  0.413553  1
  H  H58  1  0.508068  0.271711  0.388579  1
  H  H59  1  0.508128  0.893474  0.394852  1
  H  H60  1  0.508361  0.379644  0.419786  1
  H  H61  1  0.416653  0.001146  0.426056  1
  H  H62  1  0.416836  0.514913  0.401121  1
  H  H63  1  0.416874  0.136522  0.407322  1
  H  H64  1  0.416739  0.622839  0.432288  1
  H  H65  1  1.008402  0.744272  0.438509  1
  H  H66  1  1.008455  0.230557  0.463464  1
  H  H67  1  1.008513  0.852214  0.469693  1
  H  H68  1  1.008473  0.365946  0.444741  1
  H  H69  1  0.916626  -0.012595  0.450998  1
  H  H70  1  0.916666  0.473673  0.475951  1
  H  H71  1  0.916737  0.095348  0.482183  1
  H  H72  1  0.916684  0.609063  0.457227  1
  H  H73  1  0.508455  0.730557  0.463464  1
  H  H74  1  0.508402  0.244272  0.438509  1
  H  H75  1  0.508473  0.865946  0.444741  1
  H  H76  1  0.508513  0.352214  0.469693  1
  H  H77  1  0.416666  -0.026327  0.475951  1
  H  H78  1  0.416626  0.487405  0.450998  1
  H  H79  1  0.416684  0.109063  0.457227  1
  H  H80  1  0.416737  0.595348  0.482183  1
  H  H81  1  1.008400  0.716781  0.488404  1
  H  H82  1  1.008265  0.203098  0.513370  1
  H  H83  1  1.008303  0.824706  0.519570  1
  H  H84  1  1.008486  0.338473  0.494635  1
  H  H85  1  0.916778  -0.040024  0.500906  1
  H  H86  1  0.917011  0.446145  0.525839  1
  H  H87  1  0.917071  0.067909  0.532112  1
  H  H88  1  0.916832  0.581583  0.507138  1
  H  H89  1  0.508265  0.703098  0.513370  1
  H  H90  1  0.508400  0.216781  0.488404  1
  H  H91  1  0.508486  0.838473  0.494635  1
  H  H92  1  0.508303  0.324706  0.519570  1
  H  H93  1  0.417011  0.946145  0.525839  1
  H  H94  1  0.416778  0.459976  0.500906  1
  H  H95  1  0.416832  0.081583  0.507138  1
  H  H96  1  0.417071  0.567909  0.532112  1
  H  H97  1  1.007993  0.689314  0.538318  1
  H  H98  1  1.007661  0.175655  0.563294  1
  H  H99  1  1.007648  0.797310  0.569509  1
  H  H100  1  1.007989  0.311068  0.544554  1
  H  H101  1  0.917449  0.932422  0.550785  1
  H  H102  1  0.918147  0.418830  0.575853  1
  H  H103  1  0.918604  0.040125  0.582028  1
  H  H104  1  0.917459  0.553878  0.557021  1
  H  H105  1  0.507661  0.675655  0.563294  1
  H  H106  1  0.507993  0.189314  0.538318  1
  H  H107  1  0.507989  0.811068  0.544554  1
  H  H108  1  0.507648  0.297310  0.569509  1
  H  H109  1  0.418147  0.918830  0.575853  1
  H  H110  1  0.417449  0.432422  0.550785  1
  H  H111  1  0.417459  0.053878  0.557021  1
  H  H112  1  0.418604  0.540125  0.582028  1
  H  H113  1  1.006919  0.661405  0.587994  1
  H  H114  1  1.005456  0.147537  0.613001  1
  H  H115  1  1.005783  0.768899  0.618835  1
  H  H116  1  1.006953  0.283889  0.594431  1
  H  H117  1  0.919347  0.905220  0.600768  1
  H  H118  1  0.921041  0.392425  0.625794  1
  H  H119  1  0.922095  0.013032  0.632284  1
  H  H120  1  0.920242  0.526887  0.607039  1
  H  H121  1  0.505456  0.647537  0.613001  1
  H  H122  1  0.506919  0.161405  0.587994  1
  H  H123  1  0.506953  0.783889  0.594431  1
  H  H124  1  0.505783  0.268899  0.618835  1
  H  H125  1  0.421041  0.892425  0.625794  1
  H  H126  1  0.419347  0.405220  0.600768  1
  H  H127  1  0.420242  0.026887  0.607039  1
  H  H128  1  0.422095  0.513032  0.632284  1
  H  H129  1  1.003137  0.635086  0.638032  1
  H  H130  1  0.997929  0.120672  0.665407  1
  H  H131  1  0.994327  0.738565  0.671341  1
  H  H132  1  1.000532  0.255040  0.643866  1
  H  H133  1  0.924240  0.873950  0.649641  1
  H  H134  1  0.927735  0.360024  0.676598  1
  H  H135  1  0.922603  -0.026534  0.682944  1
  H  H136  1  0.923774  0.501558  0.657561  1
  H  H137  1  0.497929  0.620672  0.665407  1
  H  H138  1  0.503137  0.135086  0.638032  1
  H  H139  1  0.500532  0.755040  0.643866  1
  H  H140  1  0.494327  0.238565  0.671341  1
  H  H141  1  0.427735  0.860024  0.676598  1
  H  H142  1  0.424240  0.373950  0.649641  1
  H  H143  1  0.423774  0.001558  0.657561  1
  H  H144  1  0.422603  0.473466  0.682944  1
