# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79837058
_cell_length_b   8.05036044
_cell_length_c   48.01068241
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1430.91007113
_cell_formula_units_Z   36
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  0.195064  0.844199  0.269487  1
  H  H2  1  0.340207  0.157005  0.282751  1
  H  H3  1  0.478434  0.462789  0.297000  1
  H  H4  1  0.612097  0.672234  0.264405  1
  H  H5  1  0.767419  0.998558  0.275986  1
  H  H6  1  0.913664  0.316721  0.286921  1
  H  H7  1  0.620949  0.782064  0.308701  1
  H  H8  1  0.758974  0.097206  0.320498  1
  H  H9  1  0.895624  0.408224  0.333067  1
  H  H10  1  0.053653  0.624017  0.300521  1
  H  H11  1  0.189734  0.939110  0.314685  1
  H  H12  1  0.323419  0.248773  0.328170  1
  H  H13  1  0.029668  0.721513  0.345868  1
  H  H14  1  0.163944  0.034211  0.359514  1
  H  H15  1  0.301971  0.348677  0.372393  1
  H  H16  1  0.460490  0.565225  0.340657  1
  H  H17  1  0.597086  0.879457  0.352859  1
  H  H18  1  0.734253  0.192550  0.365363  1
  H  H19  1  0.439928  0.662701  0.385023  1
  H  H20  1  0.577862  0.976213  0.397577  1
  H  H21  1  0.715370  0.289940  0.410222  1
  H  H22  1  0.872101  0.506037  0.378047  1
  H  H23  1  0.008839  0.818506  0.391075  1
  H  H24  1  0.145998  0.132542  0.404173  1
  H  H25  1  0.852091  0.603051  0.423057  1
  H  H26  1  0.989148  0.916417  0.435982  1
  H  H27  1  0.126164  0.230080  0.448907  1
  H  H28  1  0.283142  0.446287  0.416987  1
  H  H29  1  0.420463  0.759954  0.429667  1
  H  H30  1  0.558005  0.073652  0.442319  1
  H  H31  1  0.263433  0.543711  0.461674  1
  H  H32  1  0.400919  0.857397  0.474367  1
  H  H33  1  0.538267  0.171010  0.487090  1
  H  H34  1  0.695146  0.387137  0.455087  1
  H  H35  1  0.832276  0.700541  0.467945  1
  H  H36  1  0.969378  1.013958  0.480831  1
  H  H37  1  0.675395  0.484585  0.499925  1
  H  H38  1  0.812496  0.798002  0.512810  1
  H  H39  1  0.949627  0.111406  0.525669  1
  H  H40  1  0.106506  0.327533  0.493665  1
  H  H41  1  0.243854  0.641146  0.506389  1
  H  H42  1  0.381340  0.954832  0.519081  1
  H  H43  1  0.086768  0.424891  0.538436  1
  H  H44  1  0.224310  0.738589  0.551088  1
  H  H45  1  0.361631  0.052256  0.563769  1
  H  H46  1  0.518609  0.268463  0.531849  1
  H  H47  1  0.655625  0.582126  0.544773  1
  H  H48  1  0.792682  0.895492  0.557698  1
  H  H49  1  0.498775  0.366001  0.576583  1
  H  H50  1  0.635934  0.680037  0.589681  1
  H  H51  1  0.772672  0.992506  0.602708  1
  H  H52  1  0.929403  0.208603  0.570534  1
  H  H53  1  0.066911  0.522330  0.583178  1
  H  H54  1  0.204845  0.835842  0.595732  1
  H  H55  1  0.910519  0.305993  0.615392  1
  H  H56  1  0.047687  0.619086  0.627896  1
  H  H57  1  0.184283  0.933318  0.640099  1
  H  H58  1  0.342802  0.149866  0.608362  1
  H  H59  1  0.480829  0.464332  0.621241  1
  H  H60  1  0.615105  0.777030  0.634887  1
  H  H61  1  0.321354  0.249770  0.652586  1
  H  H62  1  0.455039  0.559434  0.666071  1
  H  H63  1  0.591120  0.874526  0.680234  1
  H  H64  1  0.749149  0.090319  0.647688  1
  H  H65  1  0.885799  0.401337  0.660257  1
  H  H66  1  0.023824  0.716479  0.672054  1
  H  H67  1  0.731109  0.181822  0.693835  1
  H  H68  1  0.877354  0.499985  0.704769  1
  H  H69  1  0.032676  0.826309  0.716350  1
  H  H70  1  0.166339  0.035754  0.683756  1
  H  H71  1  0.304566  0.341538  0.698004  1
  H  H72  1  0.449709  0.654344  0.711268  1
