# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27370290
_cell_length_b   4.47507475
_cell_length_c   47.74578105
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.15333687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   1652.08096442
_cell_formula_units_Z   42
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  0.733608  0.844368  0.290972  1
  H  H2  1  0.164485  1.000866  0.269024  1
  H  H3  1  0.451406  0.903829  0.280659  1
  H  H4  1  0.650989  0.382027  0.283276  1
  H  H5  1  0.935080  0.328436  0.295206  1
  H  H6  1  0.351631  0.453959  0.272500  1
  H  H7  1  0.568798  0.681308  0.324527  1
  H  H8  1  0.016069  0.782467  0.301063  1
  H  H9  1  0.289881  0.738234  0.314031  1
  H  H10  1  0.496893  0.219837  0.317221  1
  H  H11  1  0.776814  0.162073  0.328023  1
  H  H12  1  0.217296  0.273529  0.307428  1
  H  H13  1  0.402589  0.517722  0.357254  1
  H  H14  1  0.847168  0.627816  0.335395  1
  H  H15  1  0.123392  0.574652  0.346470  1
  H  H16  1  0.335026  0.053872  0.350297  1
  H  H17  1  0.613688  0.999195  0.360889  1
  H  H18  1  0.054761  0.106966  0.339053  1
  H  H19  1  0.237290  0.354588  0.389965  1
  H  H20  1  0.681122  0.463217  0.368038  1
  H  H21  1  0.959189  0.408515  0.378974  1
  H  H22  1  0.170487  0.890358  0.382871  1
  H  H23  1  0.449311  0.834750  0.393805  1
  H  H24  1  0.891640  0.945079  0.371970  1
  H  H25  1  0.072579  0.190163  0.422683  1
  H  H26  1  0.515982  0.299051  0.400806  1
  H  H27  1  0.794204  0.244976  0.411765  1
  H  H28  1  0.005890  0.725742  0.415629  1
  H  H29  1  0.284415  0.670971  0.426559  1
  H  H30  1  0.727555  0.780281  0.404682  1
  H  H31  1  0.907925  0.025972  0.455446  1
  H  H32  1  0.351079  0.135382  0.433594  1
  H  H33  1  0.629522  0.080570  0.444512  1
  H  H34  1  0.841228  0.561554  0.448410  1
  H  H35  1  0.119673  0.506784  0.459329  1
  H  H36  1  0.562834  0.616088  0.437487  1
  H  H37  1  0.743207  0.861800  0.488215  1
  H  H38  1  0.186359  0.971243  0.466365  1
  H  H39  1  0.464792  0.916505  0.477286  1
  H  H40  1  0.676526  0.397290  0.481182  1
  H  H41  1  0.954954  0.342602  0.492104  1
  H  H42  1  0.398104  0.452007  0.470257  1
  H  H43  1  0.578490  0.697658  0.520983  1
  H  H44  1  0.021640  0.807063  0.499136  1
  H  H45  1  0.300068  0.752375  0.510059  1
  H  H46  1  0.511802  0.233160  0.513954  1
  H  H47  1  0.790235  0.178422  0.524875  1
  H  H48  1  0.233387  0.287865  0.503025  1
  H  H49  1  0.413760  0.533577  0.553753  1
  H  H50  1  0.856921  0.642880  0.531911  1
  H  H51  1  0.135366  0.588110  0.542830  1
  H  H52  1  0.347072  0.069095  0.546728  1
  H  H53  1  0.625515  0.014283  0.557647  1
  H  H54  1  0.068669  0.123693  0.535795  1
  H  H55  1  0.249039  0.369384  0.586559  1
  H  H56  1  0.692179  0.478694  0.564681  1
  H  H57  1  0.970704  0.423923  0.575611  1
  H  H58  1  0.182390  0.904688  0.579475  1
  H  H59  1  0.460612  0.850613  0.590435  1
  H  H60  1  0.904014  0.959501  0.568557  1
  H  H61  1  0.084954  0.204586  0.619270  1
  H  H62  1  0.527283  0.314914  0.597436  1
  H  H63  1  0.806106  0.259307  0.608370  1
  H  H64  1  0.017405  0.741149  0.612266  1
  H  H65  1  0.295472  0.686448  0.623202  1
  H  H66  1  0.739304  0.795077  0.601275  1
  H  H67  1  0.921833  0.042699  0.652187  1
  H  H68  1  0.362906  0.150470  0.630352  1
  H  H69  1  0.641568  0.095793  0.640943  1
  H  H70  1  0.853202  0.575013  0.644771  1
  H  H71  1  0.129426  0.521848  0.655845  1
  H  H72  1  0.574005  0.631943  0.633986  1
  H  H73  1  0.759298  0.876136  0.683812  1
  H  H74  1  0.199780  0.987592  0.663217  1
  H  H75  1  0.479701  0.929827  0.674019  1
  H  H76  1  0.686713  0.411430  0.677209  1
  H  H77  1  0.960525  0.367198  0.690178  1
  H  H78  1  0.407796  0.468357  0.666713  1
  H  H79  1  0.624963  0.695705  0.718740  1
  H  H80  1  0.041514  0.821229  0.696034  1
  H  H81  1  0.325605  0.767638  0.707964  1
  H  H82  1  0.525188  0.245836  0.710581  1
  H  H83  1  0.812108  0.148798  0.722216  1
  H  H84  1  0.242986  0.305296  0.700268  1
