# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96461259
_cell_length_b   7.99601704
_cell_length_c   46.07310234
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.36400360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1414.9099523
_cell_formula_units_Z   36
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  0.043930  0.899675  0.270174  1
  H  H2  1  0.320670  0.383063  0.280719  1
  H  H3  1  0.799286  0.145743  0.274121  1
  H  H4  1  0.050996  0.621040  0.286147  1
  H  H5  1  0.534535  0.867577  0.295701  1
  H  H6  1  0.797751  0.358122  0.308667  1
  H  H7  1  0.302726  0.117264  0.301391  1
  H  H8  1  0.555202  0.603468  0.313099  1
  H  H9  1  0.031951  0.845451  0.321402  1
  H  H10  1  0.285421  0.335885  0.333824  1
  H  H11  1  0.801910  0.090509  0.326106  1
  H  H12  1  0.056413  0.581681  0.338521  1
  H  H13  1  0.528620  0.823352  0.346705  1
  H  H14  1  0.779848  0.312115  0.359256  1
  H  H15  1  0.303486  0.068983  0.351424  1
  H  H16  1  0.555761  0.558427  0.363766  1
  H  H17  1  0.026774  0.800667  0.372068  1
  H  H18  1  0.277212  0.289601  0.384607  1
  H  H19  1  0.804053  0.046433  0.376471  1
  H  H20  1  0.054730  0.535412  0.389011  1
  H  H21  1  0.525559  0.777941  0.397379  1
  H  H22  1  0.775637  0.266637  0.409972  1
  H  H23  1  0.303845  0.024055  0.401731  1
  H  H24  1  0.553719  0.512610  0.414288  1
  H  H25  1  0.024628  0.755177  0.422699  1
  H  H26  1  0.274397  0.243878  0.435312  1
  H  H27  1  0.802917  1.001256  0.426990  1
  H  H28  1  0.052563  0.489855  0.439598  1
  H  H29  1  0.523640  0.732390  0.448010  1
  H  H30  1  0.773256  0.221053  0.460640  1
  H  H31  1  0.301880  0.978497  0.452291  1
  H  H32  1  0.551436  0.467098  0.464913  1
  H  H33  1  0.022613  0.709623  0.473327  1
  H  H34  1  0.272158  0.198263  0.485960  1
  H  H35  1  0.800792  0.955706  0.477596  1
  H  H36  1  0.050328  0.444324  0.490228  1
  H  H37  1  0.521538  0.686856  0.498642  1
  H  H38  1  0.771074  0.175474  0.511275  1
  H  H39  1  0.299708  0.932917  0.502911  1
  H  H40  1  0.549253  0.421557  0.515544  1
  H  H41  1  0.020430  0.664082  0.523958  1
  H  H42  1  0.269986  0.152683  0.536579  1
  H  H43  1  0.798610  0.910127  0.528231  1
  H  H44  1  0.048226  0.398791  0.540860  1
  H  H45  1  0.519303  0.641325  0.549272  1
  H  H46  1  0.768949  0.129924  0.561880  1
  H  H47  1  0.297469  0.887302  0.553559  1
  H  H48  1  0.547238  0.376003  0.566172  1
  H  H49  1  0.018147  0.618570  0.574582  1
  H  H50  1  0.268021  0.107125  0.587140  1
  H  H51  1  0.796229  0.864543  0.578898  1
  H  H52  1  0.046307  0.353239  0.591491  1
  H  H53  1  0.517135  0.595768  0.599860  1
  H  H54  1  0.767813  0.084747  0.612399  1
  H  H55  1  0.294653  0.841579  0.604263  1
  H  H56  1  0.545092  0.330513  0.616802  1
  H  H57  1  0.016105  0.572753  0.625104  1
  H  H58  1  0.268380  0.062197  0.637447  1
  H  H59  1  0.792018  0.819065  0.629615  1
  H  H60  1  0.043246  0.307828  0.642166  1
  H  H61  1  0.515452  0.549499  0.650349  1
  H  H62  1  0.769955  0.040671  0.662765  1
  H  H63  1  0.286445  0.795295  0.655046  1
  H  H64  1  0.539915  0.285729  0.667468  1
  H  H65  1  0.016664  0.527712  0.675771  1
  H  H66  1  0.269140  0.013916  0.687479  1
  H  H67  1  0.774115  0.773058  0.680204  1
  H  H68  1  0.037330  0.263603  0.693169  1
  H  H69  1  0.520870  0.510140  0.702724  1
  H  H70  1  0.772580  0.985437  0.714749  1
  H  H71  1  0.251195  0.748117  0.708152  1
  H  H72  1  0.527935  0.231505  0.718696  1
