# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85378036
_cell_length_b   5.08423562
_cell_length_c   45.84427141
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.78675719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H40
_cell_volume   665.10520048
_cell_formula_units_Z   20
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  0.013231  0.540866  0.279751  1
  H  H2  1  0.513769  0.062856  0.291115  1
  H  H3  1  0.014200  0.580437  0.300200  1
  H  H4  1  0.514737  0.102427  0.311564  1
  H  H5  1  0.015345  0.627258  0.324396  1
  H  H6  1  0.515883  0.149248  0.335759  1
  H  H7  1  0.016395  0.670191  0.346582  1
  H  H8  1  0.516933  0.192181  0.357946  1
  H  H9  1  0.017485  0.714726  0.369596  1
  H  H10  1  0.518023  0.236716  0.380960  1
  H  H11  1  0.018555  0.758489  0.392211  1
  H  H12  1  0.519093  0.280479  0.403575  1
  H  H13  1  0.019635  0.802603  0.415008  1
  H  H14  1  0.520172  0.324593  0.426372  1
  H  H15  1  0.020710  0.846553  0.437720  1
  H  H16  1  0.521248  0.368542  0.449083  1
  H  H17  1  0.021787  0.890579  0.460471  1
  H  H18  1  0.522325  0.412569  0.471835  1
  H  H19  1  0.022863  0.934567  0.483202  1
  H  H20  1  0.523401  0.456557  0.494566  1
  H  H21  1  0.023940  0.978579  0.505946  1
  H  H22  1  0.524477  0.500569  0.517310  1
  H  H23  1  0.025016  0.022567  0.528678  1
  H  H24  1  0.525554  0.544557  0.540041  1
  H  H25  1  0.026093  0.066593  0.551429  1
  H  H26  1  0.526631  0.588583  0.562793  1
  H  H27  1  0.027168  0.110543  0.574140  1
  H  H28  1  0.527706  0.632533  0.585504  1
  H  H29  1  0.028247  0.154657  0.596937  1
  H  H30  1  0.528785  0.676647  0.608301  1
  H  H31  1  0.029318  0.198420  0.619552  1
  H  H32  1  0.529856  0.720410  0.630916  1
  H  H33  1  0.030407  0.242955  0.642566  1
  H  H34  1  0.530945  0.764945  0.653930  1
  H  H35  1  0.031457  0.285888  0.664753  1
  H  H36  1  0.531995  0.807878  0.676117  1
  H  H37  1  0.032603  0.332709  0.688948  1
  H  H38  1  0.533141  0.854699  0.700312  1
  H  H39  1  0.033571  0.372280  0.709397  1
  H  H40  1  0.534109  0.894270  0.720761  1
