# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84866230
_cell_length_b   7.88154035
_cell_length_c   46.10980439
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.75001184
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H60
_cell_volume   1020.297135
_cell_formula_units_Z   30
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  0.430456  0.829221  0.297622  1
  H  H2  1  0.775558  0.521004  0.282807  1
  H  H3  1  0.103007  0.175113  0.290215  1
  H  H4  1  0.414572  0.795323  0.317617  1
  H  H5  1  0.759674  0.487106  0.302802  1
  H  H6  1  0.087123  0.141214  0.310209  1
  H  H7  1  0.395779  0.755214  0.341274  1
  H  H8  1  0.740881  0.446997  0.326460  1
  H  H9  1  0.068330  0.101106  0.333867  1
  H  H10  1  0.378546  0.718436  0.362968  1
  H  H11  1  0.723648  0.410219  0.348153  1
  H  H12  1  0.051097  0.064327  0.355560  1
  H  H13  1  0.360670  0.680285  0.385470  1
  H  H14  1  0.705772  0.372069  0.370656  1
  H  H15  1  0.033221  0.026177  0.378063  1
  H  H16  1  0.343103  0.642796  0.407583  1
  H  H17  1  0.688205  0.334579  0.392768  1
  H  H18  1  0.015654  0.988688  0.400176  1
  H  H19  1  0.325396  0.605006  0.429873  1
  H  H20  1  0.670498  0.296789  0.415058  1
  H  H21  1  0.997947  0.950898  0.422466  1
  H  H22  1  0.307755  0.567357  0.452080  1
  H  H23  1  0.652857  0.259141  0.437265  1
  H  H24  1  0.980306  0.913249  0.444673  1
  H  H25  1  0.290083  0.529642  0.474326  1
  H  H26  1  0.635185  0.221426  0.459511  1
  H  H27  1  0.962634  0.875534  0.466919  1
  H  H28  1  0.272427  0.491960  0.496552  1
  H  H29  1  0.617529  0.183744  0.481737  1
  H  H30  1  0.944978  0.837852  0.489145  1
  H  H31  1  0.254761  0.454258  0.518791  1
  H  H32  1  0.599863  0.146041  0.503976  1
  H  H33  1  0.927312  0.800150  0.511383  1
  H  H34  1  0.237104  0.416576  0.541017  1
  H  H35  1  0.582206  0.108360  0.526202  1
  H  H36  1  0.909655  0.762468  0.533609  1
  H  H37  1  0.219432  0.378861  0.563263  1
  H  H38  1  0.564534  0.070644  0.548448  1
  H  H39  1  0.891983  0.724753  0.555855  1
  H  H40  1  0.201791  0.341213  0.585469  1
  H  H41  1  0.546893  0.032996  0.570655  1
  H  H42  1  0.874342  0.687104  0.578062  1
  H  H43  1  0.184084  0.303423  0.607760  1
  H  H44  1  0.529186  0.995206  0.592945  1
  H  H45  1  0.856635  0.649314  0.600352  1
  H  H46  1  0.166518  0.265933  0.629872  1
  H  H47  1  0.511620  0.957716  0.615058  1
  H  H48  1  0.839069  0.611825  0.622465  1
  H  H49  1  0.148642  0.227783  0.652375  1
  H  H50  1  0.493744  0.919566  0.637560  1
  H  H51  1  0.821193  0.573675  0.644968  1
  H  H52  1  0.131408  0.191004  0.674068  1
  H  H53  1  0.476511  0.882788  0.659254  1
  H  H54  1  0.803959  0.536896  0.666661  1
  H  H55  1  0.112615  0.150896  0.697726  1
  H  H56  1  0.457717  0.842679  0.682911  1
  H  H57  1  0.785166  0.496788  0.690319  1
  H  H58  1  0.096731  0.116997  0.717721  1
  H  H59  1  0.441833  0.808781  0.702906  1
  H  H60  1  0.769282  0.462889  0.710313  1
