# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23425355
_cell_length_b   4.47564888
_cell_length_c   48.52152880
_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   1671.13228449
_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  0.734407  0.845834  0.285803  1
  H  H2  1  0.164458  0.004319  0.264077  1
  H  H3  1  0.451961  0.905781  0.275616  1
  H  H4  1  0.651606  0.383315  0.278240  1
  H  H5  1  0.936041  0.330003  0.290096  1
  H  H6  1  0.350820  0.456405  0.267594  1
  H  H7  1  0.569394  0.682781  0.318880  1
  H  H8  1  0.016913  0.784071  0.295729  1
  H  H9  1  0.290438  0.739798  0.308523  1
  H  H10  1  0.497906  0.221028  0.311727  1
  H  H11  1  0.777804  0.163174  0.322396  1
  H  H12  1  0.218313  0.274487  0.302108  1
  H  H13  1  0.403448  0.518932  0.351166  1
  H  H14  1  0.847831  0.629283  0.329627  1
  H  H15  1  0.124150  0.575964  0.340533  1
  H  H16  1  0.336007  0.054841  0.344367  1
  H  H17  1  0.614681  1.000158  0.354812  1
  H  H18  1  0.055764  0.108053  0.333306  1
  H  H19  1  0.238603  0.355476  0.383447  1
  H  H20  1  0.682141  0.464344  0.361827  1
  H  H21  1  0.960369  0.409571  0.372619  1
  H  H22  1  0.171664  0.891052  0.376505  1
  H  H23  1  0.450559  0.835422  0.387282  1
  H  H24  1  0.892716  0.945971  0.365754  1
  H  H25  1  0.074285  0.190786  0.415729  1
  H  H26  1  0.517393  0.299884  0.394141  1
  H  H27  1  0.795763  0.245722  0.404962  1
  H  H28  1  0.007374  0.726247  0.408818  1
  H  H29  1  0.286018  0.671352  0.419596  1
  H  H30  1  0.728910  0.780910  0.398015  1
  H  H31  1  0.909975  0.026340  0.448047  1
  H  H32  1  0.352890  0.135915  0.426489  1
  H  H33  1  0.631444  0.081037  0.437259  1
  H  H34  1  0.843062  0.561796  0.441150  1
  H  H35  1  0.121630  0.506916  0.451922  1
  H  H36  1  0.564546  0.616420  0.430373  1
  H  H37  1  0.745611  0.861899  0.480369  1
  H  H38  1  0.188530  0.971504  0.458817  1
  H  H39  1  0.467079  0.916684  0.469589  1
  H  H40  1  0.678717  0.397260  0.473475  1
  H  H41  1  0.957265  0.342474  0.484250  1
  H  H42  1  0.400180  0.452055  0.462700  1
  H  H43  1  0.581252  0.697481  0.512693  1
  H  H44  1  0.024166  0.807062  0.491142  1
  H  H45  1  0.302714  0.752276  0.501917  1
  H  H46  1  0.514352  0.232851  0.505804  1
  H  H47  1  0.792901  0.178032  0.516576  1
  H  H48  1  0.235820  0.287637  0.495024  1
  H  H49  1  0.416885  0.533116  0.545020  1
  H  H50  1  0.859801  0.642620  0.523471  1
  H  H51  1  0.138369  0.587740  0.534242  1
  H  H52  1  0.349987  0.068499  0.538133  1
  H  H53  1  0.628541  0.013621  0.548904  1
  H  H54  1  0.071457  0.123195  0.527346  1
  H  H55  1  0.252521  0.368626  0.577377  1
  H  H56  1  0.695413  0.478184  0.555797  1
  H  H57  1  0.974057  0.423289  0.566575  1
  H  H58  1  0.185668  0.903813  0.570431  1
  H  H59  1  0.464038  0.849652  0.581251  1
  H  H60  1  0.907147  0.958749  0.559664  1
  H  H61  1  0.088715  0.203564  0.609639  1
  H  H62  1  0.530872  0.314114  0.588111  1
  H  H63  1  0.809767  0.258484  0.598887  1
  H  H64  1  0.021062  0.739965  0.602773  1
  H  H65  1  0.299291  0.685192  0.613566  1
  H  H66  1  0.742828  0.794060  0.591946  1
  H  H67  1  0.925667  0.041482  0.642087  1
  H  H68  1  0.366750  0.149378  0.620581  1
  H  H69  1  0.645425  0.094695  0.631026  1
  H  H70  1  0.857281  0.573571  0.634860  1
  H  H71  1  0.133601  0.520253  0.645766  1
  H  H72  1  0.577983  0.630604  0.624227  1
  H  H73  1  0.763118  0.875049  0.673285  1
  H  H74  1  0.203627  0.986362  0.652997  1
  H  H75  1  0.483525  0.928508  0.663665  1
  H  H76  1  0.690993  0.409738  0.666869  1
  H  H77  1  0.964519  0.365465  0.679663  1
  H  H78  1  0.412037  0.466755  0.656512  1
  H  H79  1  0.630612  0.693131  0.707799  1
  H  H80  1  0.045390  0.819533  0.685296  1
  H  H81  1  0.329825  0.766221  0.697153  1
  H  H82  1  0.529470  0.243754  0.699776  1
  H  H83  1  0.816973  0.145216  0.711316  1
  H  H84  1  0.247024  0.303702  0.689590  1
