# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96764238
_cell_length_b   8.00471688
_cell_length_c   46.26484968
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.63526639
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1423.42671757
_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  0.144419  0.900323  0.269330  1
  H  H2  1  0.940187  0.383752  0.279585  1
  H  H3  1  0.652910  0.146298  0.273279  1
  H  H4  1  0.429443  0.621359  0.285277  1
  H  H5  1  0.667027  0.867941  0.294822  1
  H  H6  1  0.440830  0.358507  0.307714  1
  H  H7  1  0.184438  0.117876  0.300509  1
  H  H8  1  0.950998  0.603545  0.312193  1
  H  H9  1  0.186405  0.845712  0.320465  1
  H  H10  1  0.950016  0.336225  0.332842  1
  H  H11  1  0.710416  0.090756  0.325197  1
  H  H12  1  0.473789  0.581909  0.337596  1
  H  H13  1  0.705127  0.823524  0.345740  1
  H  H14  1  0.467824  0.312332  0.358257  1
  H  H15  1  0.233420  0.069106  0.350471  1
  H  H16  1  0.996327  0.558632  0.362808  1
  H  H17  1  0.225893  0.800839  0.371069  1
  H  H18  1  0.987519  0.289784  0.383567  1
  H  H19  1  0.756695  0.046520  0.375484  1
  H  H20  1  0.518507  0.535620  0.388001  1
  H  H21  1  0.747425  0.778119  0.396340  1
  H  H22  1  0.508957  0.266821  0.408895  1
  H  H23  1  0.279084  0.024235  0.400674  1
  H  H24  1  0.040575  0.512779  0.413204  1
  H  H25  1  0.269376  0.755376  0.421610  1
  H  H26  1  0.030604  0.244066  0.434185  1
  H  H27  1  0.801214  1.001444  0.425879  1
  H  H28  1  0.562394  0.490044  0.438457  1
  H  H29  1  0.791383  0.732569  0.446867  1
  H  H30  1  0.552468  0.221243  0.459464  1
  H  H31  1  0.323161  0.978696  0.451120  1
  H  H32  1  0.084238  0.467289  0.463711  1
  H  H33  1  0.313328  0.709812  0.472129  1
  H  H34  1  0.074358  0.198450  0.484731  1
  H  H35  1  0.845074  0.955902  0.476369  1
  H  H36  1  0.606111  0.444523  0.488972  1
  H  H37  1  0.835231  0.687043  0.497389  1
  H  H38  1  0.596268  0.175664  0.509992  1
  H  H39  1  0.366984  0.933116  0.501630  1
  H  H40  1  0.128015  0.421754  0.514231  1
  H  H41  1  0.357104  0.664277  0.522649  1
  H  H42  1  0.118181  0.152870  0.535241  1
  H  H43  1  0.888874  0.910323  0.526897  1
  H  H44  1  0.649959  0.398997  0.539494  1
  H  H45  1  0.878948  0.641522  0.547904  1
  H  H46  1  0.640129  0.130122  0.560482  1
  H  H47  1  0.410739  0.887500  0.552175  1
  H  H48  1  0.171966  0.376190  0.564751  1
  H  H49  1  0.400767  0.618787  0.573157  1
  H  H50  1  0.162259  0.107331  0.585687  1
  H  H51  1  0.932386  0.864745  0.577466  1
  H  H52  1  0.693917  0.353447  0.590020  1
  H  H53  1  0.922835  0.595946  0.598359  1
  H  H54  1  0.684647  0.085046  0.610877  1
  H  H55  1  0.453823  0.841782  0.602793  1
  H  H56  1  0.215449  0.330727  0.615292  1
  H  H57  1  0.445015  0.572934  0.623553  1
  H  H58  1  0.207923  0.062460  0.635890  1
  H  H59  1  0.973518  0.819234  0.628104  1
  H  H60  1  0.736215  0.308042  0.640620  1
  H  H61  1  0.967553  0.549657  0.648764  1
  H  H62  1  0.730926  0.040810  0.661164  1
  H  H63  1  0.491327  0.795341  0.653518  1
  H  H64  1  0.254938  0.285854  0.665895  1
  H  H65  1  0.490344  0.528021  0.674168  1
  H  H66  1  0.256904  0.013690  0.685851  1
  H  H67  1  1.000513  0.773059  0.678647  1
  H  H68  1  0.774315  0.263625  0.691538  1
  H  H69  1  0.011899  0.510207  0.701084  1
  H  H70  1  0.788433  0.985268  0.713081  1
  H  H71  1  0.501156  0.747814  0.706776  1
  H  H72  1  0.296924  0.231243  0.717030  1
