# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85378036
_cell_length_b   5.91031005
_cell_length_c   45.70576028
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.67668315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H46
_cell_volume   770.852805814
_cell_formula_units_Z   23
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  0.034142  0.395617  0.280582  1
  H  H2  1  0.535336  0.944417  0.290386  1
  H  H3  1  0.036290  0.483423  0.298222  1
  H  H4  1  0.537484  0.032223  0.308026  1
  H  H5  1  0.038831  0.587314  0.319094  1
  H  H6  1  0.540025  0.136114  0.328898  1
  H  H7  1  0.041162  0.682580  0.338233  1
  H  H8  1  0.542356  0.231380  0.348037  1
  H  H9  1  0.043579  0.781398  0.358086  1
  H  H10  1  0.544773  0.330198  0.367889  1
  H  H11  1  0.045955  0.878506  0.377594  1
  H  H12  1  0.547149  0.427306  0.387398  1
  H  H13  1  0.048350  0.976391  0.397259  1
  H  H14  1  0.549543  0.525191  0.407063  1
  H  H15  1  0.050735  0.073912  0.416851  1
  H  H16  1  0.551929  0.622712  0.426655  1
  H  H17  1  0.053125  0.171600  0.436477  1
  H  H18  1  0.554319  0.720400  0.446281  1
  H  H19  1  0.055513  0.269212  0.456087  1
  H  H20  1  0.556707  0.818012  0.465891  1
  H  H21  1  0.057902  0.366858  0.475704  1
  H  H22  1  0.559096  0.915658  0.485508  1
  H  H23  1  0.060290  0.464490  0.495319  1
  H  H24  1  0.561484  0.013290  0.505123  1
  H  H25  1  0.062679  0.562123  0.514933  1
  H  H26  1  0.563872  0.110923  0.524737  1
  H  H27  1  0.065067  0.659769  0.534550  1
  H  H28  1  0.566261  0.208569  0.544354  1
  H  H29  1  0.067455  0.757380  0.554160  1
  H  H30  1  0.568649  0.306180  0.563964  1
  H  H31  1  0.069845  0.855069  0.573786  1
  H  H32  1  0.571039  0.403869  0.583590  1
  H  H33  1  0.072231  0.952590  0.593378  1
  H  H34  1  0.573425  0.501390  0.603182  1
  H  H35  1  0.074625  0.050475  0.613043  1
  H  H36  1  0.575819  0.599275  0.622847  1
  H  H37  1  0.077001  0.147582  0.632552  1
  H  H38  1  0.578195  0.696382  0.642356  1
  H  H39  1  0.079418  0.246401  0.652404  1
  H  H40  1  0.580612  0.795201  0.662208  1
  H  H41  1  0.081749  0.341667  0.671543  1
  H  H42  1  0.582943  0.890467  0.681347  1
  H  H43  1  0.084291  0.445558  0.692415  1
  H  H44  1  0.585484  0.994358  0.702219  1
  H  H45  1  0.086439  0.533364  0.710055  1
  H  H46  1  0.587632  0.082164  0.719859  1
