# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.22275609
_cell_length_b   15.05198376
_cell_length_c   49.51746165
_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   H80
_cell_volume   1656.70019924
_cell_formula_units_Z   40
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  0.747604  0.213872  0.287722  1
  H  H2  1  0.747604  0.727340  0.266359  1
  H  H3  1  0.247604  0.079281  0.304116  1
  H  H4  1  0.247604  0.591951  0.282325  1
  H  H5  1  0.747604  0.966480  0.277012  1
  H  H6  1  0.747604  0.458927  0.299081  1
  H  H7  1  0.247604  0.349648  0.271812  1
  H  H8  1  0.247604  0.834990  0.293939  1
  H  H9  1  0.747604  0.189110  0.332644  1
  H  H10  1  0.747604  0.700911  0.311131  1
  H  H11  1  0.247604  0.055118  0.349190  1
  H  H12  1  0.247604  0.567532  0.327399  1
  H  H13  1  0.747604  0.944814  0.322024  1
  H  H14  1  0.747604  0.433242  0.343888  1
  H  H15  1  0.247604  0.323436  0.316473  1
  H  H16  1  0.247604  0.810855  0.338611  1
  H  H17  1  0.747604  0.164217  0.377294  1
  H  H18  1  0.747604  0.676550  0.355443  1
  H  H19  1  0.247604  0.030357  0.394076  1
  H  H20  1  0.247604  0.542224  0.371984  1
  H  H21  1  0.747604  0.920743  0.366412  1
  H  H22  1  0.747604  0.408094  0.388627  1
  H  H23  1  0.247604  0.298545  0.360745  1
  H  H24  1  0.247604  0.786330  0.383229  1
  H  H25  1  0.747604  0.139674  0.422045  1
  H  H26  1  0.747604  0.651821  0.399986  1
  H  H27  1  0.247604  1.005572  0.438833  1
  H  H28  1  0.247604  0.517504  0.416643  1
  H  H29  1  0.747604  0.896034  0.411027  1
  H  H30  1  0.747604  0.383297  0.433327  1
  H  H31  1  0.247604  0.273767  0.405355  1
  H  H32  1  0.247604  0.761549  0.427839  1
  H  H33  1  0.747604  0.115013  0.466766  1
  H  H34  1  0.747604  0.627090  0.444595  1
  H  H35  1  0.247604  0.980788  0.483523  1
  H  H36  1  0.247604  0.492792  0.461310  1
  H  H37  1  0.747604  0.871207  0.455668  1
  H  H38  1  0.747604  0.358624  0.478023  1
  H  H39  1  0.247604  0.249132  0.450043  1
  H  H40  1  0.247604  0.736735  0.472462  1
  H  H41  1  0.747604  0.090322  0.511456  1
  H  H42  1  0.747604  0.602326  0.489244  1
  H  H43  1  0.247604  0.956024  0.528171  1
  H  H44  1  0.247604  0.468101  0.506001  1
  H  H45  1  0.747604  0.846379  0.500304  1
  H  H46  1  0.747604  0.333982  0.522723  1
  H  H47  1  0.247604  0.224490  0.494743  1
  H  H48  1  0.247604  0.711907  0.517099  1
  H  H49  1  0.747604  0.065610  0.556124  1
  H  H50  1  0.747604  0.577542  0.533934  1
  H  H51  1  0.247604  0.931292  0.572780  1
  H  H52  1  0.247604  0.443440  0.550721  1
  H  H53  1  0.747604  0.821565  0.544928  1
  H  H54  1  0.747604  0.309347  0.567412  1
  H  H55  1  0.247604  0.199817  0.539440  1
  H  H56  1  0.247604  0.687080  0.561739  1
  H  H57  1  0.747604  0.040890  0.600783  1
  H  H58  1  0.747604  0.552757  0.578691  1
  H  H59  1  0.247604  0.906563  0.617323  1
  H  H60  1  0.247604  0.418897  0.595472  1
  H  H61  1  0.747604  0.796784  0.589538  1
  H  H62  1  0.747604  0.284569  0.612021  1
  H  H63  1  0.247604  0.175020  0.584140  1
  H  H64  1  0.247604  0.662370  0.606354  1
  H  H65  1  0.747604  0.015582  0.645367  1
  H  H66  1  0.747604  0.527996  0.623577  1
  H  H67  1  0.247604  0.882203  0.661636  1
  H  H68  1  0.247604  0.394003  0.640123  1
  H  H69  1  0.747604  0.772258  0.634156  1
  H  H70  1  0.747604  0.259677  0.656293  1
  H  H71  1  0.247604  0.149871  0.628878  1
  H  H72  1  0.247604  0.638300  0.650742  1
  H  H73  1  0.747604  0.991162  0.690441  1
  H  H74  1  0.747604  0.503833  0.668651  1
  H  H75  1  0.247604  0.855774  0.706408  1
  H  H76  1  0.247604  0.369242  0.685045  1
  H  H77  1  0.747604  0.748123  0.678828  1
  H  H78  1  0.747604  0.233466  0.700955  1
  H  H79  1  0.247604  0.124186  0.673685  1
  H  H80  1  0.247604  0.616633  0.695754  1
