# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28199983
_cell_length_b   7.91122300
_cell_length_c   53.75537000
_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   970.467710089
_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  0.750845  1.019133  0.232120  1
  H  H2  1  0.750845  0.494962  0.246106  1
  H  H3  1  0.250845  0.235694  0.254020  1
  H  H4  1  0.250845  0.756205  0.238840  1
  H  H5  1  0.250845  0.959093  0.269662  1
  H  H6  1  0.250845  0.439662  0.284010  1
  H  H7  1  0.750845  0.177740  0.291290  1
  H  H8  1  0.750845  0.698493  0.276442  1
  H  H9  1  0.750845  0.902121  0.306514  1
  H  H10  1  0.750845  0.381502  0.321240  1
  H  H11  1  0.250845  0.120081  0.328559  1
  H  H12  1  0.250845  0.641398  0.313685  1
  H  H13  1  0.250845  0.845228  0.343747  1
  H  H14  1  0.250845  0.324061  0.358561  1
  H  H15  1  0.750845  1.062780  0.365893  1
  H  H16  1  0.750845  0.583959  0.350995  1
  H  H17  1  0.750845  0.787861  0.381021  1
  H  H18  1  0.750845  0.266693  0.395888  1
  H  H19  1  0.250845  1.005374  0.403210  1
  H  H20  1  0.250845  0.526558  0.388308  1
  H  H21  1  0.250845  0.730514  0.418317  1
  H  H22  1  0.250845  0.209325  0.433207  1
  H  H23  1  0.750845  0.948011  0.440522  1
  H  H24  1  0.750845  0.469218  0.425625  1
  H  H25  1  0.750845  0.673176  0.455626  1
  H  H26  1  0.750845  0.151969  0.470523  1
  H  H27  1  0.250845  0.890673  0.477831  1
  H  H28  1  0.250845  0.411862  0.462941  1
  H  H29  1  0.250845  0.615813  0.492938  1
  H  H30  1  0.250845  0.094629  0.507840  1
  H  H31  1  0.750845  0.833326  0.515127  1
  H  H32  1  0.750845  0.354494  0.500260  1
  H  H33  1  0.750845  0.558406  0.530255  1
  H  H34  1  0.750845  1.037228  0.545153  1
  H  H35  1  0.250845  0.775959  0.552401  1
  H  H36  1  0.250845  0.297126  0.537587  1
  H  H37  1  0.250845  0.501106  0.567589  1
  H  H38  1  0.250845  0.979789  0.582463  1
  H  H39  1  0.750845  0.719066  0.589634  1
  H  H40  1  0.750845  0.239685  0.574909  1
  H  H41  1  0.750845  0.443447  0.604858  1
  H  H42  1  0.750845  0.922694  0.619706  1
  H  H43  1  0.250845  0.662094  0.626487  1
  H  H44  1  0.250845  0.181525  0.612138  1
  H  H45  1  0.250845  0.385493  0.642128  1
  H  H46  1  0.250845  0.864982  0.657309  1
  H  H47  1  0.750845  0.602054  0.664028  1
  H  H48  1  0.750845  0.126225  0.650042  1
