# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28469339
_cell_length_b   7.91408787
_cell_length_c   51.89387391
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   938.306846516
_cell_formula_units_Z   24
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  0.000760  1.068552  0.223296  1
  H  H2  1  0.000760  0.544141  0.237854  1
  H  H3  1  0.500760  0.284902  0.246093  1
  H  H4  1  0.500760  0.805460  0.230288  1
  H  H5  1  0.500760  1.008308  0.262261  1
  H  H6  1  0.500760  0.488804  0.277197  1
  H  H7  1  0.000760  0.226845  0.284766  1
  H  H8  1  0.000760  0.747659  0.269313  1
  H  H9  1  0.000760  0.951197  0.300510  1
  H  H10  1  0.000760  0.430502  0.315833  1
  H  H11  1  0.500760  0.169046  0.323442  1
  H  H12  1  0.500760  0.690441  0.307967  1
  H  H13  1  0.500760  0.894162  0.339152  1
  H  H14  1  0.500760  0.372922  0.354566  1
  H  H15  1  0.000760  0.111608  0.362187  1
  H  H16  1  0.000760  0.632859  0.346687  1
  H  H17  1  0.000760  0.836656  0.377836  1
  H  H18  1  0.000760  0.315417  0.393304  1
  H  H19  1  0.500760  1.054065  0.400915  1
  H  H20  1  0.500760  0.575321  0.385411  1
  H  H21  1  0.500760  0.779172  0.416543  1
  H  H22  1  0.500760  0.257911  0.432034  1
  H  H23  1  0.000760  0.996564  0.439638  1
  H  H24  1  0.000760  0.517843  0.424139  1
  H  H25  1  0.000760  0.721696  0.455262  1
  H  H26  1  0.000760  0.200417  0.470761  1
  H  H27  1  0.500760  0.939088  0.478358  1
  H  H28  1  0.500760  0.460349  0.462867  1
  H  H29  1  0.500760  0.664195  0.493986  1
  H  H30  1  0.500760  0.142939  0.509489  1
  H  H31  1  0.000760  0.881603  0.517065  1
  H  H32  1  0.000760  0.402843  0.501597  1
  H  H33  1  0.000760  0.606652  0.532713  1
  H  H34  1  0.000760  0.085401  0.548214  1
  H  H35  1  0.500760  0.824098  0.555748  1
  H  H36  1  0.500760  0.345338  0.540335  1
  H  H37  1  0.500760  0.549214  0.571458  1
  H  H38  1  0.500760  1.027819  0.586934  1
  H  H39  1  0.000760  0.767063  0.594391  1
  H  H40  1  0.000760  0.287757  0.579068  1
  H  H41  1  0.000760  0.491415  0.610135  1
  H  H42  1  0.000760  0.970601  0.625587  1
  H  H43  1  0.500760  0.709952  0.632640  1
  H  H44  1  0.500760  0.229456  0.617704  1
  H  H45  1  0.500760  0.433358  0.648808  1
  H  H46  1  0.500760  0.912800  0.664613  1
  H  H47  1  0.000760  0.649708  0.671605  1
  H  H48  1  0.000760  0.174119  0.657047  1
