# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27950858
_cell_length_b   15.89840864
_cell_length_c   49.68972221
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.73443923
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H88
_cell_volume   1796.95961245
_cell_formula_units_Z   44
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  0.855188  0.697459  0.271175  1
  H  H2  1  0.592060  0.177219  0.292709  1
  H  H3  1  0.721855  0.435337  0.280751  1
  H  H4  1  0.986034  0.959231  0.261257  1
  H  H5  1  0.620639  0.237400  0.251211  1
  H  H6  1  0.420814  0.828191  0.266196  1
  H  H7  1  0.289054  0.566710  0.276156  1
  H  H8  1  0.550926  0.091520  0.256490  1
  H  H9  1  0.334540  0.659105  0.311359  1
  H  H10  1  0.073236  0.140017  0.331952  1
  H  H11  1  0.203622  0.399913  0.321483  1
  H  H12  1  0.464749  0.919170  0.301537  1
  H  H13  1  0.155954  0.306521  0.286850  1
  H  H14  1  0.899788  0.789195  0.306428  1
  H  H15  1  0.768689  0.529031  0.316254  1
  H  H16  1  0.029404  1.048726  0.296783  1
  H  H17  1  0.813572  0.621123  0.351061  1
  H  H18  1  0.553336  0.102195  0.371533  1
  H  H19  1  0.683664  0.362250  0.361460  1
  H  H20  1  0.943956  0.880783  0.341253  1
  H  H21  1  0.638433  0.270307  0.326921  1
  H  H22  1  0.378861  0.750943  0.346139  1
  H  H23  1  0.248463  0.491745  0.356202  1
  H  H24  1  0.508800  1.010509  0.336454  1
  H  H25  1  0.293358  0.583597  0.391076  1
  H  H26  1  0.033148  0.064374  0.411252  1
  H  H27  1  0.163376  0.324221  0.401354  1
  H  H28  1  0.423485  0.842815  0.381107  1
  H  H29  1  0.118413  0.232228  0.366619  1
  H  H30  1  0.858377  0.713116  0.386025  1
  H  H31  1  0.728424  0.454034  0.396229  1
  H  H32  1  0.988466  0.972522  0.376260  1
  H  H33  1  0.773112  0.545733  0.431069  1
  H  H34  1  0.512896  1.026587  0.451022  1
  H  H35  1  0.643101  0.286227  0.441203  1
  H  H36  1  0.903068  0.804949  0.420978  1
  H  H37  1  0.598241  0.194256  0.406367  1
  H  H38  1  0.338062  0.675337  0.425981  1
  H  H39  1  0.208146  0.416028  0.436166  1
  H  H40  1  0.468120  0.934647  0.416077  1
  H  H41  1  0.252842  0.507759  0.471020  1
  H  H42  1  0.992631  0.988793  0.490809  1
  H  H43  1  0.122823  0.248361  0.481046  1
  H  H44  1  0.382771  0.767111  0.460879  1
  H  H45  1  0.078003  0.156396  0.446145  1
  H  H46  1  0.817792  0.637430  0.465933  1
  H  H47  1  0.687864  0.378078  0.476074  1
  H  H48  1  0.947812  0.896828  0.455908  1
  H  H49  1  0.732573  0.469852  0.510972  1
  H  H50  1  0.472393  0.950933  0.530586  1
  H  H51  1  0.602514  0.210542  0.520876  1
  H  H52  1  0.862488  0.729160  0.500787  1
  H  H53  1  0.557739  0.118601  0.485932  1
  H  H54  1  0.297522  0.599455  0.505885  1
  H  H55  1  0.167566  0.340240  0.515975  1
  H  H56  1  0.427533  0.858961  0.495751  1
  H  H57  1  0.212257  0.432073  0.550929  1
  H  H58  1  0.952221  0.912961  0.570335  1
  H  H59  1  0.082168  0.172666  0.560693  1
  H  H60  1  0.342210  0.691154  0.540725  1
  H  H61  1  0.037486  0.080815  0.525702  1
  H  H62  1  0.777276  0.561592  0.545877  1
  H  H63  1  0.647150  0.302373  0.555847  1
  H  H64  1  0.907258  0.820967  0.535600  1
  H  H65  1  0.691773  0.394246  0.590815  1
  H  H66  1  0.432201  0.874882  0.610033  1
  H  H67  1  0.561834  0.134680  0.600500  1
  H  H68  1  0.822172  0.653444  0.580751  1
  H  H69  1  0.517298  1.042994  0.565421  1
  H  H70  1  0.257062  0.524065  0.585893  1
  H  H71  1  0.126678  0.264406  0.595701  1
  H  H72  1  0.386970  0.782939  0.575493  1
  H  H73  1  0.170847  0.355994  0.630525  1
  H  H74  1  0.914681  0.838668  0.650103  1
  H  H75  1  0.041230  0.096463  0.640171  1
  H  H76  1  0.301946  0.616157  0.620700  1
  H  H77  1  0.997399  1.005172  0.605001  1
  H  H78  1  0.736094  0.486084  0.625595  1
  H  H79  1  0.605886  0.226019  0.635417  1
  H  H80  1  0.867013  0.745276  0.615470  1
  H  H81  1  0.649821  0.316997  0.670757  1
  H  H82  1  0.449995  0.907789  0.685742  1
  H  H83  1  0.519708  0.053669  0.680464  1
  H  H84  1  0.781580  0.578479  0.660798  1
  H  H85  1  0.478575  0.967969  0.644244  1
  H  H86  1  0.215446  0.447730  0.665779  1
  H  H87  1  0.084600  0.185958  0.675697  1
  H  H88  1  0.348780  0.709852  0.656203  1
