# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90009309
_cell_length_b   14.53845456
_cell_length_c   49.25080877
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.29676343
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   2767.38483754
_cell_formula_units_Z   42
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  0.487965  0.023351  0.306986  1
  H  H2  1  0.330447  0.338389  0.329208  1
  H  H3  1  0.645484  0.708314  0.284763  1
  H  H4  1  0.075873  0.847537  0.318097  1
  H  H5  1  0.390910  0.217462  0.273652  1
  H  H6  1  0.233392  0.532499  0.295875  1
  H  H7  1  0.100825  0.797632  0.314577  1
  H  H8  1  0.415862  0.167558  0.270132  1
  H  H9  1  0.258344  0.482595  0.292354  1
  H  H10  1  0.512918  0.973447  0.303465  1
  H  H11  1  0.355399  0.288484  0.325688  1
  H  H12  1  0.670436  0.658410  0.281243  1
  H  H13  1  0.015409  0.968463  0.373652  1
  H  H14  1  0.857891  0.283500  0.395875  1
  H  H15  1  0.172928  0.653426  0.351430  1
  H  H16  1  0.603317  0.792648  0.384763  1
  H  H17  1  0.918354  0.162574  0.340319  1
  H  H18  1  0.760835  0.477611  0.362541  1
  H  H19  1  0.628269  0.742744  0.381243  1
  H  H20  1  0.943306  0.112669  0.336799  1
  H  H21  1  0.785788  0.427707  0.359021  1
  H  H22  1  0.040362  0.918559  0.370132  1
  H  H23  1  0.882843  0.233596  0.392354  1
  H  H24  1  0.197881  0.603521  0.347910  1
  H  H25  1  0.542854  0.913575  0.440319  1
  H  H26  1  0.385335  0.228612  0.462541  1
  H  H27  1  0.700372  0.598538  0.418097  1
  H  H28  1  0.130761  0.737760  0.451430  1
  H  H29  1  0.445798  0.107686  0.406986  1
  H  H30  1  0.288280  0.422723  0.429208  1
  H  H31  1  0.155713  0.687856  0.447910  1
  H  H32  1  0.470751  0.057781  0.403465  1
  H  H33  1  0.313232  0.372819  0.425688  1
  H  H34  1  0.567806  0.863671  0.436799  1
  H  H35  1  0.410287  0.178708  0.459021  1
  H  H36  1  0.725325  0.548633  0.414577  1
  H  H37  1  0.070298  0.858687  0.506986  1
  H  H38  1  0.912779  0.173724  0.529208  1
  H  H39  1  0.227816  0.543650  0.484763  1
  H  H40  1  0.658205  0.682872  0.518097  1
  H  H41  1  0.973242  0.052798  0.473652  1
  H  H42  1  0.815724  0.367835  0.495875  1
  H  H43  1  0.683157  0.632968  0.514577  1
  H  H44  1  0.998195  0.002893  0.470132  1
  H  H45  1  0.840676  0.317931  0.492354  1
  H  H46  1  0.095250  0.808783  0.503465  1
  H  H47  1  0.937731  0.123820  0.525688  1
  H  H48  1  0.252769  0.493745  0.481243  1
  H  H49  1  0.597742  0.803799  0.573652  1
  H  H50  1  0.440223  0.118836  0.595875  1
  H  H51  1  0.755260  0.488762  0.551430  1
  H  H52  1  0.185649  0.627984  0.584763  1
  H  H53  1  0.500686  0.997910  0.540319  1
  H  H54  1  0.343168  0.312947  0.562541  1
  H  H55  1  0.210601  0.578080  0.581243  1
  H  H56  1  0.525639  0.948005  0.536799  1
  H  H57  1  0.368120  0.263042  0.559021  1
  H  H58  1  0.622694  0.753894  0.570132  1
  H  H59  1  0.465175  0.068932  0.592354  1
  H  H60  1  0.780213  0.438857  0.547910  1
  H  H61  1  0.125186  0.748911  0.640319  1
  H  H62  1  0.967667  0.063948  0.662541  1
  H  H63  1  0.282704  0.433873  0.618097  1
  H  H64  1  0.713093  0.573096  0.651430  1
  H  H65  1  0.028130  0.943021  0.606986  1
  H  H66  1  0.870612  0.258059  0.629208  1
  H  H67  1  0.738045  0.523192  0.647910  1
  H  H68  1  0.053083  0.893117  0.603465  1
  H  H69  1  0.895564  0.208154  0.625688  1
  H  H70  1  0.150138  0.699006  0.636799  1
  H  H71  1  0.992619  0.014044  0.659021  1
  H  H72  1  0.307657  0.383969  0.614577  1
  H  H73  1  0.652630  0.694023  0.706986  1
  H  H74  1  0.495111  0.009060  0.729208  1
  H  H75  1  0.810148  0.378985  0.684763  1
  H  H76  1  0.240537  0.518208  0.718097  1
  H  H77  1  0.555574  0.888133  0.673652  1
  H  H78  1  0.398056  0.203171  0.695875  1
  H  H79  1  0.265489  0.468303  0.714577  1
  H  H80  1  0.580527  0.838229  0.670132  1
  H  H81  1  0.423008  0.153266  0.692354  1
  H  H82  1  0.677582  0.644118  0.703465  1
  H  H83  1  0.520063  0.959155  0.725688  1
  H  H84  1  0.835101  0.329081  0.681243  1
