# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97235669
_cell_length_b   4.47624417
_cell_length_c   46.87579703
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.39002469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H38
_cell_volume   746.648974911
_cell_formula_units_Z   19
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  0.702580  0.365468  0.270410  1
  H  H2  1  0.510902  0.787552  0.282384  1
  H  H3  1  0.126199  0.224812  0.294461  1
  H  H4  1  0.983749  0.691582  0.309317  1
  H  H5  1  0.577914  0.150213  0.319822  1
  H  H6  1  0.437740  0.600419  0.332509  1
  H  H7  1  0.023221  0.065276  0.343989  1
  H  H8  1  0.890498  0.516372  0.357415  1
  H  H9  1  0.469525  0.976742  0.367816  1
  H  H10  1  0.341464  0.430819  0.381434  1
  H  H11  1  0.917332  0.894430  0.391941  1
  H  H12  1  0.788934  0.345074  0.405667  1
  H  H13  1  0.363826  0.808443  0.415862  1
  H  H14  1  0.236928  0.260153  0.429803  1
  H  H15  1  0.811366  0.723719  0.439957  1
  H  H16  1  0.684053  0.174565  0.453905  1
  H  H17  1  0.258627  0.638521  0.464022  1
  H  H18  1  0.131381  0.089380  0.478016  1
  H  H19  1  0.705941  0.553253  0.488112  1
  H  H20  1  0.578685  0.004126  0.502111  1
  H  H21  1  0.153245  0.467999  0.512207  1
  H  H22  1  0.026000  0.918857  0.526201  1
  H  H23  1  0.600573  0.382814  0.536318  1
  H  H24  1  0.473260  0.833660  0.550266  1
  H  H25  1  0.047698  0.297226  0.560420  1
  H  H26  1  0.920800  0.748936  0.574361  1
  H  H27  1  0.495692  0.212305  0.584556  1
  H  H28  1  0.367294  0.662949  0.598281  1
  H  H29  1  0.943163  0.126560  0.608789  1
  H  H30  1  0.815102  0.580636  0.622407  1
  H  H31  1  0.394128  0.041007  0.632808  1
  H  H32  1  0.261405  0.492103  0.646234  1
  H  H33  1  0.846886  0.956959  0.657714  1
  H  H34  1  0.706713  0.407166  0.670401  1
  H  H35  1  0.300877  0.865797  0.680906  1
  H  H36  1  0.158427  0.332567  0.695762  1
  H  H37  1  0.773725  0.769827  0.707839  1
  H  H38  1  0.582047  0.191911  0.719813  1
