# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98863130
_cell_length_b   7.28654664
_cell_length_c   50.97649120
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.48683134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1468.82817389
_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  0.202186  0.264193  0.252582  1
  H  H2  1  0.400799  0.605098  0.229695  1
  H  H3  1  0.306863  0.938363  0.241380  1
  H  H4  1  0.756239  1.099758  0.247326  1
  H  H5  1  0.651726  0.414917  0.260638  1
  H  H6  1  0.855695  0.774503  0.235648  1
  H  H7  1  0.861404  0.204116  0.290673  1
  H  H8  1  0.083061  0.574744  0.267190  1
  H  H9  1  -0.031083  0.889661  0.278517  1
  H  H10  1  0.413233  1.048913  0.284189  1
  H  H11  1  0.302438  0.362655  0.296782  1
  H  H12  1  0.524205  0.732143  0.272739  1
  H  H13  1  0.518282  1.153435  0.327263  1
  H  H14  1  0.743384  0.522047  0.303238  1
  H  H15  1  0.630280  0.838729  0.315032  1
  H  H16  1  0.075010  0.995596  0.321166  1
  H  H17  1  -0.038554  0.311507  0.333453  1
  H  H18  1  0.186821  0.680468  0.309200  1
  H  H19  1  0.177914  1.101990  0.364009  1
  H  H20  1  0.404088  0.469822  0.339625  1
  H  H21  1  0.291191  0.786148  0.351826  1
  H  H22  1  0.734629  0.944053  0.357897  1
  H  H23  1  0.621114  0.260033  0.370131  1
  H  H24  1  0.847343  0.628354  0.345755  1
  H  H25  1  0.837598  1.050357  0.400712  1
  H  H26  1  0.064199  0.418160  0.376263  1
  H  H27  1  -0.049099  0.734321  0.388510  1
  H  H28  1  0.394289  0.892334  0.394606  1
  H  H29  1  0.280860  0.208389  0.406825  1
  H  H30  1  0.507481  0.576235  0.382396  1
  H  H31  1  0.497376  0.998638  0.437403  1
  H  H32  1  0.724120  0.366422  0.412947  1
  H  H33  1  0.610716  0.682536  0.425182  1
  H  H34  1  0.054065  0.840595  0.431293  1
  H  H35  1  -0.059337  1.156674  0.443518  1
  H  H36  1  0.167396  0.524470  0.419067  1
  H  H37  1  0.157205  0.946905  0.474086  1
  H  H38  1  0.383938  0.314701  0.449635  1
  H  H39  1  0.270536  0.630781  0.461860  1
  H  H40  1  0.713884  0.788840  0.467971  1
  H  H41  1  0.600480  1.104953  0.480206  1
  H  H42  1  0.827224  0.472738  0.455750  1
  H  H43  1  0.817119  0.895140  0.510757  1
  H  H44  1  0.043740  0.262986  0.486328  1
  H  H45  1  -0.069689  0.579041  0.498547  1
  H  H46  1  0.373699  0.737055  0.504643  1
  H  H47  1  0.260401  1.053215  0.516890  1
  H  H48  1  0.487003  0.421019  0.492440  1
  H  H49  1  0.477257  0.843021  0.547398  1
  H  H50  1  0.703487  0.211342  0.523022  1
  H  H51  1  0.589971  0.527322  0.535255  1
  H  H52  1  0.033409  0.685227  0.541327  1
  H  H53  1  -0.079487  1.001553  0.553528  1
  H  H54  1  0.146686  0.369386  0.529144  1
  H  H55  1  0.137779  0.790908  0.583953  1
  H  H56  1  0.363154  1.159868  0.559700  1
  H  H57  1  0.249590  0.475779  0.571987  1
  H  H58  1  0.694321  0.632647  0.578121  1
  H  H59  1  0.581217  0.949328  0.589915  1
  H  H60  1  0.806318  0.317941  0.565890  1
  H  H61  1  0.800395  0.739233  0.620414  1
  H  H62  1  0.022162  1.108720  0.596371  1
  H  H63  1  -0.088633  0.422463  0.608964  1
  H  H64  1  0.355684  0.581715  0.614636  1
  H  H65  1  0.241540  0.896631  0.625963  1
  H  H66  1  0.463197  0.267260  0.602480  1
  H  H67  1  0.468905  0.696872  0.657505  1
  H  H68  1  0.672875  1.056458  0.632514  1
  H  H69  1  0.568362  0.371617  0.645827  1
  H  H70  1  0.017738  0.533013  0.651772  1
  H  H71  1  -0.076199  0.866277  0.663458  1
  H  H72  1  0.122414  0.207182  0.640571  1
