# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27149811
_cell_length_b   9.65354748
_cell_length_c   35.37671269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.67882146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H39
_cell_volume   775.728893801
_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  0.508058  0.337856  0.484650  1
  H  H2  1  0.509108  0.561374  0.462778  1
  H  H3  1  0.007725  -0.050966  0.473678  1
  H  H4  1  0.009048  0.512423  0.520751  1
  H  H5  1  0.008328  0.732194  0.497713  1
  H  H6  1  0.508373  0.122176  0.508670  1
  H  H7  1  0.509282  0.685766  0.555022  1
  H  H8  1  0.508722  -0.095637  0.532496  1
  H  H9  1  0.009071  0.295296  0.543421  1
  H  H10  1  0.009742  0.858722  0.589624  1
  H  H11  1  0.009093  0.077205  0.566450  1
  H  H12  1  0.509587  0.467714  0.578058  1
  H  H13  1  0.510174  0.031523  0.624082  1
  H  H14  1  0.509860  0.249611  0.600997  1
  H  H15  1  0.010147  0.640547  0.612604  1
  H  H16  1  0.010737  0.204258  0.658685  1
  H  H17  1  0.010416  0.422369  0.635657  1
  H  H18  1  0.510603  0.813373  0.647223  1
  H  H19  1  0.511248  0.377079  0.693316  1
  H  H20  1  0.510960  0.595227  0.670261  1
  H  H21  1  0.011104  -0.013847  0.681788  1
  H  H22  1  0.011792  0.549937  0.727920  1
  H  H23  1  0.011471  0.768048  0.704891  1
  H  H24  1  0.511606  0.158933  0.716354  1
  H  H25  1  0.512348  0.722695  0.762580  1
  H  H26  1  0.512034  -0.059217  0.739495  1
  H  H27  1  0.012061  0.331759  0.750973  1
  H  H28  1  0.013115  -0.104899  0.797127  1
  H  H29  1  0.012466  0.113584  0.773953  1
  H  H30  1  0.512621  0.504591  0.785519  1
  H  H31  1  0.513486  0.067943  0.831081  1
  H  H32  1  0.512926  0.286539  0.808554  1
  H  H33  1  0.013137  0.677010  0.820156  1
  H  H34  1  0.013880  0.240112  0.865864  1
  H  H35  1  0.013161  0.459883  0.842826  1
  H  H36  1  0.513835  0.850130  0.854907  1
  H  H37  1  0.513100  0.410932  0.900799  1
  H  H38  1  0.514150  0.634450  0.878927  1
  H  H39  1  0.014483  0.023272  0.889899  1
