# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27983116
_cell_length_b   15.77613556
_cell_length_c   48.95291015
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.06122262
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H88
_cell_volume   1756.52696124
_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  0.062090  0.381174  0.284463  1
  H  H2  1  0.304460  0.894682  0.263311  1
  H  H3  1  0.684336  0.138192  0.266207  1
  H  H4  1  0.937796  0.628537  0.293790  1
  H  H5  1  0.749665  1.006740  0.285747  1
  H  H6  1  -0.005020  0.514800  0.264885  1
  H  H7  1  0.118741  0.269569  0.254841  1
  H  H8  1  0.372755  0.758360  0.281767  1
  H  H9  1  0.571397  0.362950  0.326148  1
  H  H10  1  0.815306  0.873759  0.305175  1
  H  H11  1  0.192392  0.121345  0.308197  1
  H  H12  1  0.446844  0.610537  0.335721  1
  H  H13  1  0.259154  0.987601  0.327279  1
  H  H14  1  0.503350  0.497662  0.306768  1
  H  H15  1  0.627801  0.250390  0.296781  1
  H  H16  1  0.881540  0.740581  0.324017  1
  H  H17  1  0.080325  0.345010  0.367743  1
  H  H18  1  0.324435  0.855353  0.346400  1
  H  H19  1  0.701820  0.102556  0.349488  1
  H  H20  1  0.956117  0.591971  0.377410  1
  H  H21  1  0.768343  0.969134  0.368818  1
  H  H22  1  0.012241  0.479732  0.347841  1
  H  H23  1  0.136507  0.232927  0.338022  1
  H  H24  1  0.390893  0.722058  0.365670  1
  H  H25  1  0.589582  0.326569  0.409270  1
  H  H26  1  0.833620  0.836974  0.387921  1
  H  H27  1  0.210975  0.084220  0.390983  1
  H  H28  1  0.465318  0.573499  0.419038  1
  H  H29  1  0.277512  0.950795  0.410391  1
  H  H30  1  0.521326  0.461512  0.389281  1
  H  H31  1  0.645708  0.214546  0.379440  1
  H  H32  1  0.900117  0.703689  0.407338  1
  H  H33  1  0.098824  0.308150  0.450784  1
  H  H34  1  0.342783  0.818659  0.429491  1
  H  H35  1  0.720143  0.065864  0.432512  1
  H  H36  1  0.974531  0.555051  0.460609  1
  H  H37  1  0.786684  0.932456  0.451959  1
  H  H38  1  0.030547  0.443090  0.430776  1
  H  H39  1  0.154893  0.196162  0.420923  1
  H  H40  1  0.409312  0.685310  0.448950  1
  H  H41  1  0.608051  0.289739  0.492298  1
  H  H42  1  0.851961  0.800312  0.471060  1
  H  H43  1  0.229321  0.047492  0.474062  1
  H  H44  1  0.483736  0.536640  0.502148  1
  H  H45  1  0.295864  0.914102  0.493525  1
  H  H46  1  0.539773  0.424675  0.472287  1
  H  H47  1  0.664089  0.177774  0.462437  1
  H  H48  1  0.918503  0.666922  0.490523  1
  H  H49  1  0.117278  0.271324  0.533809  1
  H  H50  1  0.361140  0.781958  0.512626  1
  H  H51  1  0.738513  0.029104  0.515635  1
  H  H52  1  -0.007069  0.518252  0.543662  1
  H  H53  1  0.805041  0.895755  0.535094  1
  H  H54  1  0.049000  0.406264  0.513801  1
  H  H55  1  0.173293  0.159362  0.503976  1
  H  H56  1  0.427682  0.648550  0.532073  1
  H  H57  1  0.626499  0.252902  0.575304  1
  H  H58  1  0.870312  0.763619  0.554194  1
  H  H59  1  0.247707  1.010725  0.557247  1
  H  H60  1  0.502117  0.499867  0.585145  1
  H  H61  1  0.314205  0.877440  0.576664  1
  H  H62  1  0.558243  0.387845  0.555315  1
  H  H63  1  0.682506  0.140915  0.545546  1
  H  H64  1  0.936849  0.630193  0.573602  1
  H  H65  1  0.135584  0.234682  0.616744  1
  H  H66  1  0.379482  0.745280  0.595767  1
  H  H67  1  0.756932  0.992356  0.598915  1
  H  H68  1  0.011318  0.481487  0.626563  1
  H  H69  1  0.823390  0.859060  0.618185  1
  H  H70  1  0.067500  0.369403  0.596842  1
  H  H71  1  0.191708  0.122443  0.587175  1
  H  H72  1  0.446005  0.611858  0.615097  1
  H  H73  1  0.644475  0.216752  0.657817  1
  H  H74  1  0.888670  0.726813  0.637306  1
  H  H75  1  0.266285  0.973833  0.640568  1
  H  H76  1  0.520023  0.464024  0.667804  1
  H  H77  1  0.332519  0.840654  0.659410  1
  H  H78  1  0.576427  0.351463  0.638437  1
  H  H79  1  0.700981  0.103877  0.628864  1
  H  H80  1  0.955432  0.593069  0.656388  1
  H  H81  1  0.152845  0.199614  0.699700  1
  H  H82  1  0.398159  0.707674  0.678838  1
  H  H83  1  0.775069  0.956054  0.682818  1
  H  H84  1  0.029083  0.444845  0.709744  1
  H  H85  1  0.843364  0.819731  0.701274  1
  H  H86  1  0.085734  0.333240  0.680122  1
  H  H87  1  0.210028  0.085877  0.670795  1
  H  H88  1  0.463488  0.576222  0.698378  1
