# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79318558
_cell_length_b   9.10906212
_cell_length_c   50.53149410
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H88
_cell_volume   1745.98253405
_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  0.998534  -0.017563  0.242240  1
  H  H2  1  0.984431  0.232769  0.242090  1
  H  H3  1  0.918390  0.482437  0.242240  1
  H  H4  1  0.932493  0.732769  0.242090  1
  H  H5  1  0.492478  0.879494  0.261818  1
  H  H6  1  0.495579  0.129471  0.261621  1
  H  H7  1  0.424446  0.379494  0.261818  1
  H  H8  1  0.421345  0.629471  0.261621  1
  H  H9  1  0.999659  0.816880  0.284480  1
  H  H10  1  0.997700  0.067147  0.284476  1
  H  H11  1  0.917264  0.316880  0.284480  1
  H  H12  1  0.919224  0.567147  0.284476  1
  H  H13  1  0.499807  0.728335  0.303659  1
  H  H14  1  0.503558  -0.021481  0.303689  1
  H  H15  1  0.417117  0.228335  0.303659  1
  H  H16  1  0.413366  0.478519  0.303689  1
  H  H17  1  1.005207  0.661405  0.325649  1
  H  H18  1  1.003924  0.911693  0.325680  1
  H  H19  1  0.911717  0.161405  0.325649  1
  H  H20  1  0.913000  0.411693  0.325680  1
  H  H21  1  0.504413  0.576426  0.345542  1
  H  H22  1  0.507253  0.826485  0.345504  1
  H  H23  1  0.412511  0.076426  0.345542  1
  H  H24  1  0.409671  0.326485  0.345504  1
  H  H25  1  1.007601  0.504862  0.367168  1
  H  H26  1  1.006835  0.755114  0.367192  1
  H  H27  1  0.909323  0.004862  0.367168  1
  H  H28  1  0.910089  0.255114  0.367192  1
  H  H29  1  0.506815  0.422869  0.387349  1
  H  H30  1  0.508730  0.673030  0.387363  1
  H  H31  1  0.410109  0.922869  0.387349  1
  H  H32  1  0.408194  0.173030  0.387363  1
  H  H33  1  1.008710  0.349653  0.408734  1
  H  H34  1  1.008027  0.599873  0.408759  1
  H  H35  1  0.908213  0.849653  0.408734  1
  H  H36  1  0.908897  0.099873  0.408759  1
  H  H37  1  0.507933  0.268982  0.429094  1
  H  H38  1  0.509171  0.519147  0.429104  1
  H  H39  1  0.408991  0.768982  0.429094  1
  H  H40  1  0.407753  0.019147  0.429104  1
  H  H41  1  1.009141  0.194881  0.450368  1
  H  H42  1  1.008282  0.445079  0.450389  1
  H  H43  1  0.907783  0.694881  0.450368  1
  H  H44  1  0.908642  0.945079  0.450389  1
  H  H45  1  0.508282  0.114605  0.470776  1
  H  H46  1  0.509141  0.364804  0.470797  1
  H  H47  1  0.408642  0.614605  0.470776  1
  H  H48  1  0.407783  0.864804  0.470797  1
  H  H49  1  1.009171  0.040538  0.492061  1
  H  H50  1  1.007933  0.290702  0.492070  1
  H  H51  1  0.907753  0.540538  0.492061  1
  H  H52  1  0.908991  0.790702  0.492070  1
  H  H53  1  0.508027  -0.040189  0.512405  1
  H  H54  1  0.508710  0.210031  0.512431  1
  H  H55  1  0.408897  0.459811  0.512405  1
  H  H56  1  0.408213  0.710031  0.512431  1
  H  H57  1  1.008730  0.886655  0.533802  1
  H  H58  1  1.006815  0.136816  0.533816  1
  H  H59  1  0.908194  0.386655  0.533802  1
  H  H60  1  0.910109  0.636816  0.533816  1
  H  H61  1  0.506835  0.804570  0.553973  1
  H  H62  1  0.507601  0.054823  0.553996  1
  H  H63  1  0.410089  0.304570  0.553973  1
  H  H64  1  0.409323  0.554823  0.553996  1
  H  H65  1  1.007253  0.733199  0.575661  1
  H  H66  1  1.004413  -0.016741  0.575622  1
  H  H67  1  0.909671  0.233199  0.575661  1
  H  H68  1  0.912511  0.483259  0.575622  1
  H  H69  1  0.503924  0.647991  0.595485  1
  H  H70  1  0.505207  0.898279  0.595516  1
  H  H71  1  0.413000  0.147991  0.595485  1
  H  H72  1  0.411717  0.398279  0.595516  1
  H  H73  1  1.003558  0.581165  0.617476  1
  H  H74  1  0.999807  0.831350  0.617505  1
  H  H75  1  0.913366  0.081165  0.617476  1
  H  H76  1  0.917117  0.331350  0.617505  1
  H  H77  1  0.497700  0.492538  0.636688  1
  H  H78  1  0.499659  0.742804  0.636685  1
  H  H79  1  0.419224  -0.007462  0.636688  1
  H  H80  1  0.417264  0.242804  0.636685  1
  H  H81  1  0.995579  0.430213  0.659544  1
  H  H82  1  0.992478  0.680191  0.659346  1
  H  H83  1  0.921345  0.930213  0.659544  1
  H  H84  1  0.924446  0.180191  0.659346  1
  H  H85  1  0.484431  0.326916  0.679075  1
  H  H86  1  0.498534  0.577248  0.678925  1
  H  H87  1  0.432493  0.826916  0.679075  1
  H  H88  1  0.418390  0.077248  0.678925  1
