# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.22571034
_cell_length_b   15.08276473
_cell_length_c   49.54678185
_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   H80
_cell_volume   1663.27879587
_cell_formula_units_Z   40
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  0.747863  0.350126  0.272379  1
  H  H2  1  0.747863  0.835510  0.294509  1
  H  H3  1  0.247863  0.966978  0.277594  1
  H  H4  1  0.247863  0.459465  0.299647  1
  H  H5  1  0.747863  0.079840  0.304676  1
  H  H6  1  0.747863  0.592500  0.282905  1
  H  H7  1  0.247863  0.214440  0.288297  1
  H  H8  1  0.247863  0.727811  0.266938  1
  H  H9  1  0.747863  0.323985  0.317063  1
  H  H10  1  0.747863  0.811397  0.339196  1
  H  H11  1  0.247863  0.945345  0.322614  1
  H  H12  1  0.247863  0.433795  0.344476  1
  H  H13  1  0.747863  0.055664  0.349766  1
  H  H14  1  0.747863  0.568076  0.327989  1
  H  H15  1  0.247863  0.189666  0.333229  1
  H  H16  1  0.247863  0.701439  0.311725  1
  H  H17  1  0.747863  0.299078  0.361343  1
  H  H18  1  0.747863  0.786854  0.383827  1
  H  H19  1  0.247863  0.921267  0.367008  1
  H  H20  1  0.247863  0.408615  0.389225  1
  H  H21  1  0.747863  0.030878  0.394667  1
  H  H22  1  0.747863  0.542752  0.372580  1
  H  H23  1  0.247863  0.164742  0.377886  1
  H  H24  1  0.247863  0.677085  0.356043  1
  H  H25  1  0.747863  0.274272  0.405958  1
  H  H26  1  0.747863  0.762040  0.428447  1
  H  H27  1  0.247863  0.896536  0.411630  1
  H  H28  1  0.247863  0.383787  0.433934  1
  H  H29  1  0.747863  1.006062  0.439435  1
  H  H30  1  0.747863  0.518004  0.417249  1
  H  H31  1  0.247863  0.140172  0.422646  1
  H  H32  1  0.247863  0.652329  0.400592  1
  H  H33  1  0.747863  0.249610  0.450653  1
  H  H34  1  0.747863  0.737197  0.473078  1
  H  H35  1  0.247863  0.871682  0.456278  1
  H  H36  1  0.247863  0.359085  0.478640  1
  H  H37  1  0.747863  0.981247  0.484134  1
  H  H38  1  0.747863  0.493262  0.461926  1
  H  H39  1  0.247863  0.115482  0.467376  1
  H  H40  1  0.247863  0.627569  0.445209  1
  H  H41  1  0.747863  0.224939  0.495361  1
  H  H42  1  0.747863  0.712342  0.517723  1
  H  H43  1  0.247863  0.846826  0.500922  1
  H  H44  1  0.247863  0.334413  0.523348  1
  H  H45  1  0.747863  0.956454  0.528792  1
  H  H46  1  0.747863  0.468542  0.506625  1
  H  H47  1  0.247863  0.090761  0.512075  1
  H  H48  1  0.247863  0.602776  0.489866  1
  H  H49  1  0.747863  0.200236  0.540067  1
  H  H50  1  0.747863  0.687487  0.562371  1
  H  H51  1  0.247863  0.821983  0.545554  1
  H  H52  1  0.247863  0.309751  0.568043  1
  H  H53  1  0.747863  0.931694  0.573409  1
  H  H54  1  0.747863  0.443851  0.551355  1
  H  H55  1  0.247863  0.066019  0.556752  1
  H  H56  1  0.247863  0.577962  0.534566  1
  H  H57  1  0.747863  0.175408  0.584776  1
  H  H58  1  0.747863  0.662756  0.606993  1
  H  H59  1  0.247863  0.797170  0.590173  1
  H  H60  1  0.247863  0.284945  0.612658  1
  H  H61  1  0.747863  0.906939  0.617958  1
  H  H62  1  0.747863  0.419282  0.596115  1
  H  H63  1  0.247863  0.041271  0.601420  1
  H  H64  1  0.247863  0.553145  0.579334  1
  H  H65  1  0.747863  0.150228  0.629525  1
  H  H66  1  0.747863  0.638678  0.651387  1
  H  H67  1  0.247863  0.772627  0.634805  1
  H  H68  1  0.247863  0.260038  0.656938  1
  H  H69  1  0.747863  0.882584  0.662276  1
  H  H70  1  0.747863  0.394357  0.640772  1
  H  H71  1  0.247863  0.015948  0.646012  1
  H  H72  1  0.247863  0.528359  0.624235  1
  H  H73  1  0.747863  0.124558  0.674353  1
  H  H74  1  0.747863  0.617045  0.696407  1
  H  H75  1  0.247863  0.748514  0.679492  1
  H  H76  1  0.247863  0.233897  0.701621  1
  H  H77  1  0.747863  0.856213  0.707063  1
  H  H78  1  0.747863  0.369583  0.685704  1
  H  H79  1  0.247863  0.991523  0.691096  1
  H  H80  1  0.247863  0.504184  0.669324  1
