# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   1.06615731
_cell_length_b   12.38059449
_cell_length_c   46.40470038
_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   H36
_cell_volume   612.526328527
_cell_formula_units_Z   18
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  0.000000  0.200109  0.308642  1
  H  H2  1  0.000000  0.805438  0.296296  1
  H  H3  1  0.000000  0.410767  0.283951  1
  H  H4  1  0.000000  0.384122  0.345679  1
  H  H5  1  0.000000  0.989451  0.333333  1
  H  H6  1  0.000000  0.594780  0.320988  1
  H  H7  1  0.000000  0.568136  0.382716  1
  H  H8  1  0.000000  0.173465  0.370370  1
  H  H9  1  0.000000  0.778794  0.358025  1
  H  H10  1  0.000000  0.752149  0.419753  1
  H  H11  1  0.000000  0.357478  0.407407  1
  H  H12  1  0.000000  0.962807  0.395062  1
  H  H13  1  0.000000  0.936162  0.456790  1
  H  H14  1  0.000000  0.541491  0.444444  1
  H  H15  1  0.000000  0.146820  0.432099  1
  H  H16  1  0.000000  0.120175  0.493827  1
  H  H17  1  0.000000  0.725504  0.481481  1
  H  H18  1  0.000000  0.330833  0.469136  1
  H  H19  1  0.000000  0.304188  0.530864  1
  H  H20  1  0.000000  0.909517  0.518519  1
  H  H21  1  0.000000  0.514846  0.506173  1
  H  H22  1  0.000000  0.488201  0.567901  1
  H  H23  1  0.000000  0.093530  0.555556  1
  H  H24  1  0.000000  0.698859  0.543210  1
  H  H25  1  0.000000  0.672214  0.604938  1
  H  H26  1  0.000000  0.277543  0.592593  1
  H  H27  1  0.000000  0.882872  0.580247  1
  H  H28  1  0.000000  0.856227  0.641975  1
  H  H29  1  0.000000  0.461556  0.629630  1
  H  H30  1  0.000000  0.066885  0.617284  1
  H  H31  1  0.000000  0.040241  0.679012  1
  H  H32  1  0.000000  0.645570  0.666667  1
  H  H33  1  0.000000  0.250898  0.654321  1
  H  H34  1  0.000000  0.224254  0.716049  1
  H  H35  1  0.000000  0.829583  0.703704  1
  H  H36  1  0.000000  0.434912  0.691358  1
