# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   1.06615731
_cell_length_b   12.38648648
_cell_length_c   46.38262665
_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   612.526328512
_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  0.199005  0.296296  1
  H  H2  1  0.000000  0.593491  0.283951  1
  H  H3  1  0.000000  0.804520  0.308642  1
  H  H4  1  0.000000  0.015548  0.333333  1
  H  H5  1  0.000000  0.410034  0.320988  1
  H  H6  1  0.000000  0.621062  0.345679  1
  H  H7  1  0.000000  0.832090  0.370370  1
  H  H8  1  0.000000  0.226576  0.358025  1
  H  H9  1  0.000000  0.437604  0.382716  1
  H  H10  1  0.000000  0.648633  0.407407  1
  H  H11  1  0.000000  0.043118  0.395062  1
  H  H12  1  0.000000  0.254147  0.419753  1
  H  H13  1  0.000000  0.465175  0.444444  1
  H  H14  1  0.000000  0.859661  0.432099  1
  H  H15  1  0.000000  0.070689  0.456790  1
  H  H16  1  0.000000  0.281717  0.481481  1
  H  H17  1  0.000000  0.676203  0.469136  1
  H  H18  1  0.000000  0.887231  0.493827  1
  H  H19  1  0.000000  0.098260  0.518519  1
  H  H20  1  0.000000  0.492745  0.506173  1
  H  H21  1  0.000000  0.703774  0.530864  1
  H  H22  1  0.000000  0.914802  0.555556  1
  H  H23  1  0.000000  0.309288  0.543210  1
  H  H24  1  0.000000  0.520316  0.567901  1
  H  H25  1  0.000000  0.731344  0.592593  1
  H  H26  1  0.000000  0.125830  0.580247  1
  H  H27  1  0.000000  0.336858  0.604938  1
  H  H28  1  0.000000  0.547887  0.629630  1
  H  H29  1  0.000000  0.942373  0.617284  1
  H  H30  1  0.000000  0.153401  0.641975  1
  H  H31  1  0.000000  0.364429  0.666667  1
  H  H32  1  0.000000  0.758915  0.654321  1
  H  H33  1  0.000000  0.969943  0.679012  1
  H  H34  1  0.000000  0.180971  0.703704  1
  H  H35  1  0.000000  0.575457  0.691358  1
  H  H36  1  0.000000  0.786485  0.716049  1
