# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90039811
_cell_length_b   19.46192123
_cell_length_c   49.89081408
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.75102641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   3768.11192287
_cell_formula_units_Z   21
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  0.555266  0.110533  0.305556  1
  H  H2  1  0.716862  0.433723  0.327778  1
  H  H3  1  0.393671  0.787343  0.283333  1
  H  H4  1  0.969397  0.938795  0.316667  1
  H  H5  1  0.646207  0.292414  0.272222  1
  H  H6  1  0.807802  0.615604  0.294444  1
  H  H7  1  0.040052  0.080104  0.372222  1
  H  H8  1  0.201647  0.403294  0.394444  1
  H  H9  1  0.878457  0.756913  0.350000  1
  H  H10  1  0.454183  0.908365  0.383333  1
  H  H11  1  0.130992  0.261985  0.338889  1
  H  H12  1  0.292588  0.585175  0.361111  1
  H  H13  1  0.524837  0.049674  0.438889  1
  H  H14  1  0.686432  0.372865  0.461111  1
  H  H15  1  0.363242  0.726484  0.416667  1
  H  H16  1  0.938968  0.877936  0.450000  1
  H  H17  1  0.615778  0.231556  0.405556  1
  H  H18  1  0.777373  0.554746  0.427778  1
  H  H19  1  0.009623  0.019245  0.505556  1
  H  H20  1  0.171218  0.342435  0.527778  1
  H  H21  1  0.848027  0.696055  0.483333  1
  H  H22  1  0.423753  0.847507  0.516667  1
  H  H23  1  0.100563  0.201126  0.472222  1
  H  H24  1  0.262158  0.524317  0.494444  1
  H  H25  1  0.494408  0.988816  0.572222  1
  H  H26  1  0.656003  0.312006  0.594444  1
  H  H27  1  0.332813  0.665626  0.550000  1
  H  H28  1  0.908539  0.817078  0.583333  1
  H  H29  1  0.585349  0.170697  0.538889  1
  H  H30  1  0.746944  0.493888  0.561111  1
  H  H31  1  0.979193  0.958387  0.638889  1
  H  H32  1  0.140789  0.281577  0.661111  1
  H  H33  1  0.817598  0.635197  0.616667  1
  H  H34  1  0.393324  0.786649  0.650000  1
  H  H35  1  0.070134  0.140268  0.605556  1
  H  H36  1  0.231729  0.463458  0.627778  1
  H  H37  1  0.463979  0.927958  0.705556  1
  H  H38  1  0.625574  0.251148  0.727778  1
  H  H39  1  0.302384  0.604767  0.683333  1
  H  H40  1  0.878110  0.756219  0.716667  1
  H  H41  1  0.554919  0.109839  0.672222  1
  H  H42  1  0.716515  0.433029  0.694444  1
