# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20421601
_cell_length_b   8.19377822
_cell_length_c   49.66952212
_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   H66
_cell_volume   1304.05519213
_cell_formula_units_Z   33
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  0.520403  0.722988  0.248847  1
  H  H2  1  0.520403  0.338803  0.261759  1
  H  H3  1  0.520403  0.959477  0.276745  1
  H  H4  1  1.020403  0.922909  0.242005  1
  H  H5  1  1.020403  0.530784  0.255507  1
  H  H6  1  1.020403  0.150739  0.269525  1
  H  H7  1  0.520403  0.576528  0.290291  1
  H  H8  1  0.520403  0.195890  0.304010  1
  H  H9  1  0.520403  0.813088  0.317604  1
  H  H10  1  1.020403  0.767683  0.283528  1
  H  H11  1  1.020403  0.386491  0.297054  1
  H  H12  1  1.020403  1.004332  0.310810  1
  H  H13  1  0.520403  0.431171  0.331345  1
  H  H14  1  0.520403  1.049054  0.345060  1
  H  H15  1  0.520403  0.667060  0.358798  1
  H  H16  1  1.020403  0.622112  0.324467  1
  H  H17  1  1.020403  0.240155  0.338198  1
  H  H18  1  1.020403  0.858042  0.351925  1
  H  H19  1  0.520403  0.285005  0.372541  1
  H  H20  1  0.520403  0.902994  0.386283  1
  H  H21  1  0.520403  0.520970  0.400028  1
  H  H22  1  0.020403  0.476038  0.365674  1
  H  H23  1  0.020403  0.093999  0.379409  1
  H  H24  1  0.020403  0.711986  0.393156  1
  H  H25  1  0.520403  0.138946  0.413769  1
  H  H26  1  0.520403  0.756925  0.427513  1
  H  H27  1  0.520403  0.374900  0.441255  1
  H  H28  1  0.020403  0.329954  0.406898  1
  H  H29  1  0.020403  0.947937  0.420641  1
  H  H30  1  0.020403  0.565912  0.434384  1
  H  H31  1  0.520403  0.992878  0.454998  1
  H  H32  1  0.520403  0.610854  0.468741  1
  H  H33  1  0.520403  0.228832  0.482483  1
  H  H34  1  0.020403  0.183889  0.448126  1
  H  H35  1  0.020403  0.801866  0.461869  1
  H  H36  1  0.020403  0.419842  0.475612  1
  H  H37  1  0.520403  0.846808  0.496226  1
  H  H38  1  0.520403  0.464783  0.509969  1
  H  H39  1  0.520403  0.082766  0.523711  1
  H  H40  1  0.020403  1.037820  0.489354  1
  H  H41  1  0.020403  0.655796  0.503097  1
  H  H42  1  0.020403  0.273775  0.516841  1
  H  H43  1  0.520403  0.700734  0.537454  1
  H  H44  1  0.520403  0.318721  0.551201  1
  H  H45  1  0.520403  0.936683  0.564936  1
  H  H46  1  0.020403  0.891750  0.530582  1
  H  H47  1  0.020403  0.509726  0.544326  1
  H  H48  1  0.020403  0.127715  0.558069  1
  H  H49  1  0.520403  0.554679  0.578685  1
  H  H50  1  0.520403  0.172565  0.592412  1
  H  H51  1  0.520403  0.790608  0.606143  1
  H  H52  1  0.020403  0.745661  0.571811  1
  H  H53  1  1.020403  0.363667  0.585550  1
  H  H54  1  1.020403  0.981550  0.599265  1
  H  H55  1  0.520403  0.408388  0.619800  1
  H  H56  1  0.520403  1.026229  0.633555  1
  H  H57  1  0.520403  0.645037  0.647082  1
  H  H58  1  1.020403  0.599632  0.613006  1
  H  H59  1  1.020403  0.216830  0.626599  1
  H  H60  1  1.020403  0.836192  0.640319  1
  H  H61  1  0.520403  0.261982  0.661084  1
  H  H62  1  0.520403  0.881937  0.675102  1
  H  H63  1  0.520403  0.489812  0.688605  1
  H  H64  1  1.020403  0.453244  0.653864  1
  H  H65  1  1.020403  0.073918  0.668850  1
  H  H66  1  1.020403  0.689733  0.681763  1
