# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.06308537
_cell_length_b   19.46192124
_cell_length_c   47.26835866
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.01229713
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   12811.5805376
_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  0.556954  0.803841  0.312092  1
  H  H2  1  0.890287  0.470508  0.312092  1
  H  H3  1  0.015766  0.818018  0.272876  1
  H  H4  1  0.223620  0.137175  0.312092  1
  H  H5  1  0.349099  0.484685  0.272876  1
  H  H6  1  0.286360  0.810930  0.292484  1
  H  H7  1  0.682432  0.151352  0.272876  1
  H  H8  1  0.619693  0.477597  0.292484  1
  H  H9  1  0.953026  0.144263  0.292484  1
  H  H10  1  0.435386  0.635993  0.315359  1
  H  H11  1  0.768719  0.302660  0.315359  1
  H  H12  1  0.894198  0.650170  0.276144  1
  H  H13  1  0.102053  0.969327  0.315359  1
  H  H14  1  0.227531  0.316837  0.276144  1
  H  H15  1  0.164792  0.643082  0.295752  1
  H  H16  1  0.560865  0.983504  0.276144  1
  H  H17  1  0.498125  0.309749  0.295752  1
  H  H18  1  0.831459  0.976415  0.295752  1
  H  H19  1  0.368735  0.782576  0.370915  1
  H  H20  1  0.702069  0.449243  0.370915  1
  H  H21  1  0.827547  0.796753  0.331699  1
  H  H22  1  0.035402  0.115909  0.370915  1
  H  H23  1  0.160881  0.463420  0.331699  1
  H  H24  1  0.098141  0.789665  0.351307  1
  H  H25  1  0.494214  0.130086  0.331699  1
  H  H26  1  0.431475  0.456331  0.351307  1
  H  H27  1  0.764808  0.122998  0.351307  1
  H  H28  1  0.247168  0.614728  0.374183  1
  H  H29  1  0.580501  0.281395  0.374183  1
  H  H30  1  0.705980  0.628905  0.334967  1
  H  H31  1  0.913834  0.948061  0.374183  1
  H  H32  1  0.039313  0.295572  0.334967  1
  H  H33  1  0.976574  0.621816  0.354575  1
  H  H34  1  0.372646  0.962238  0.334967  1
  H  H35  1  0.309907  0.288483  0.354575  1
  H  H36  1  0.643240  0.955150  0.354575  1
  H  H37  1  0.180517  0.761311  0.429739  1
  H  H38  1  0.513851  0.427977  0.429739  1
  H  H39  1  0.639329  0.775488  0.390523  1
  H  H40  1  0.847184  0.094644  0.429739  1
  H  H41  1  0.972663  0.442154  0.390523  1
  H  H42  1  0.909923  0.768399  0.410131  1
  H  H43  1  0.305996  0.108821  0.390523  1
  H  H44  1  0.243257  0.435066  0.410131  1
  H  H45  1  0.576590  0.101732  0.410131  1
  H  H46  1  0.058950  0.593462  0.433007  1
  H  H47  1  0.392283  0.260129  0.433007  1
  H  H48  1  0.517762  0.607639  0.393791  1
  H  H49  1  0.725616  0.926796  0.433007  1
  H  H50  1  0.851095  0.274306  0.393791  1
  H  H51  1  0.788356  0.600551  0.413399  1
  H  H52  1  0.184428  0.940973  0.393791  1
  H  H53  1  0.121689  0.267218  0.413399  1
  H  H54  1  0.455022  0.933884  0.413399  1
  H  H55  1  0.992299  0.740045  0.488562  1
  H  H56  1  0.325632  0.406712  0.488562  1
  H  H57  1  0.451111  0.754222  0.449346  1
  H  H58  1  0.658966  0.073378  0.488562  1
  H  H59  1  0.784444  0.420889  0.449346  1
  H  H60  1  0.721705  0.747134  0.468954  1
  H  H61  1  0.117778  0.087555  0.449346  1
  H  H62  1  0.055038  0.413800  0.468954  1
  H  H63  1  0.388372  0.080467  0.468954  1
  H  H64  1  0.870731  0.572197  0.491830  1
  H  H65  1  0.204065  0.238864  0.491830  1
  H  H66  1  0.329543  0.586374  0.452614  1
  H  H67  1  0.537398  0.905530  0.491830  1
  H  H68  1  0.662877  0.253041  0.452614  1
  H  H69  1  0.600137  0.579285  0.472222  1
  H  H70  1  0.996210  0.919707  0.452614  1
  H  H71  1  0.933471  0.245952  0.472222  1
  H  H72  1  0.266804  0.912619  0.472222  1
  H  H73  1  0.804081  0.718780  0.547386  1
  H  H74  1  0.137414  0.385446  0.547386  1
  H  H75  1  0.262893  0.732957  0.508170  1
  H  H76  1  0.470748  0.052113  0.547386  1
  H  H77  1  0.596226  0.399623  0.508170  1
  H  H78  1  0.533487  0.725868  0.527778  1
  H  H79  1  0.929560  0.066290  0.508170  1
  H  H80  1  0.866820  0.392535  0.527778  1
  H  H81  1  0.200154  0.059201  0.527778  1
  H  H82  1  0.682513  0.550932  0.550654  1
  H  H83  1  0.015847  0.217598  0.550654  1
  H  H84  1  0.141325  0.565108  0.511438  1
  H  H85  1  0.349180  0.884265  0.550654  1
  H  H86  1  0.474659  0.231775  0.511438  1
  H  H87  1  0.411919  0.558020  0.531046  1
  H  H88  1  0.807992  0.898442  0.511438  1
  H  H89  1  0.745253  0.224687  0.531046  1
  H  H90  1  0.078586  0.891353  0.531046  1
  H  H91  1  0.615863  0.697514  0.606209  1
  H  H92  1  0.949196  0.364181  0.606209  1
  H  H93  1  0.074675  0.711691  0.566993  1
  H  H94  1  0.282529  0.030847  0.606209  1
  H  H95  1  0.408008  0.378358  0.566993  1
  H  H96  1  0.345269  0.704603  0.586601  1
  H  H97  1  0.741341  0.045024  0.566993  1
  H  H98  1  0.678602  0.371269  0.586601  1
  H  H99  1  0.011935  0.037936  0.586601  1
  H  H100  1  0.494295  0.529666  0.609477  1
  H  H101  1  0.827628  0.196333  0.609477  1
  H  H102  1  0.953107  0.543843  0.570261  1
  H  H103  1  0.160962  0.862999  0.609477  1
  H  H104  1  0.286440  0.210510  0.570261  1
  H  H105  1  0.223701  0.536755  0.589869  1
  H  H106  1  0.619774  0.877176  0.570261  1
  H  H107  1  0.557034  0.203421  0.589869  1
  H  H108  1  0.890368  0.870088  0.589869  1
  H  H109  1  0.427644  0.676249  0.665033  1
  H  H110  1  0.760978  0.342915  0.665033  1
  H  H111  1  0.886457  0.690426  0.625817  1
  H  H112  1  0.094311  0.009582  0.665033  1
  H  H113  1  0.219790  0.357092  0.625817  1
  H  H114  1  0.157051  0.683337  0.645425  1
  H  H115  1  0.553123  0.023759  0.625817  1
  H  H116  1  0.490384  0.350004  0.645425  1
  H  H117  1  0.823717  0.016670  0.645425  1
  H  H118  1  0.306077  0.508401  0.668301  1
  H  H119  1  0.639410  0.175067  0.668301  1
  H  H120  1  0.764889  0.522578  0.629085  1
  H  H121  1  0.972743  0.841734  0.668301  1
  H  H122  1  0.098222  0.189244  0.629085  1
  H  H123  1  0.035483  0.515489  0.648693  1
  H  H124  1  0.431556  0.855911  0.629085  1
  H  H125  1  0.368816  0.182156  0.648693  1
  H  H126  1  0.702150  0.848822  0.648693  1
  H  H127  1  0.239426  0.654983  0.723856  1
  H  H128  1  0.572760  0.321650  0.723856  1
  H  H129  1  0.698238  0.669160  0.684641  1
  H  H130  1  0.906093  0.988316  0.723856  1
  H  H131  1  0.031572  0.335827  0.684641  1
  H  H132  1  0.968832  0.662072  0.704248  1
  H  H133  1  0.364905  0.002493  0.684641  1
  H  H134  1  0.302166  0.328738  0.704248  1
  H  H135  1  0.635499  0.995405  0.704248  1
  H  H136  1  0.117859  0.487135  0.727124  1
  H  H137  1  0.451192  0.153802  0.727124  1
  H  H138  1  0.576671  0.501312  0.687908  1
  H  H139  1  0.784525  0.820468  0.727124  1
  H  H140  1  0.910004  0.167979  0.687908  1
  H  H141  1  0.847265  0.494224  0.707516  1
  H  H142  1  0.243337  0.834645  0.687908  1
  H  H143  1  0.180598  0.160890  0.707516  1
  H  H144  1  0.513931  0.827557  0.707516  1
