# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78980072
_cell_length_b   8.04515576
_cell_length_c   47.90431846
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1423.59777011
_cell_formula_units_Z   36
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  0.183659  0.842166  0.269485  1
  H  H2  1  0.329263  0.155016  0.282766  1
  H  H3  1  0.468054  0.460788  0.297030  1
  H  H4  1  0.600477  0.670031  0.264403  1
  H  H5  1  0.756222  0.996554  0.275978  1
  H  H6  1  0.903043  0.314815  0.286893  1
  H  H7  1  0.611286  0.780191  0.308715  1
  H  H8  1  0.750028  0.095462  0.320506  1
  H  H9  1  0.887269  0.406514  0.333080  1
  H  H10  1  0.043561  0.622099  0.300523  1
  H  H11  1  0.180425  0.937294  0.314710  1
  H  H12  1  0.314764  0.246983  0.328213  1
  H  H13  1  0.021940  0.719883  0.345894  1
  H  H14  1  0.156828  0.032639  0.359560  1
  H  H15  1  0.295498  0.347203  0.372443  1
  H  H16  1  0.452490  0.563555  0.340696  1
  H  H17  1  0.589693  0.877880  0.352888  1
  H  H18  1  0.727464  0.191047  0.365394  1
  H  H19  1  0.434137  0.661318  0.385072  1
  H  H20  1  0.572750  0.974905  0.397625  1
  H  H21  1  0.710938  0.288721  0.410272  1
  H  H22  1  0.865967  0.504614  0.378084  1
  H  H23  1  0.003358  0.817146  0.391123  1
  H  H24  1  0.141217  0.131271  0.404232  1
  H  H25  1  0.848338  0.601905  0.423115  1
  H  H26  1  0.986085  0.915348  0.436050  1
  H  H27  1  0.123774  0.229094  0.448982  1
  H  H28  1  0.279048  0.445099  0.417049  1
  H  H29  1  0.417063  0.758849  0.429732  1
  H  H30  1  0.555286  0.072634  0.442384  1
  H  H31  1  0.261704  0.542806  0.461752  1
  H  H32  1  0.399861  0.856579  0.474447  1
  H  H33  1  0.537881  0.170273  0.487173  1
  H  H34  1  0.693088  0.386197  0.455157  1
  H  H35  1  0.830881  0.699679  0.468023  1
  H  H36  1  0.968650  1.013176  0.480916  1
  H  H37  1  0.675679  0.483928  0.500014  1
  H  H38  1  0.813449  0.797425  0.512907  1
  H  H39  1  0.951242  0.110907  0.525773  1
  H  H40  1  0.106449  0.326831  0.493756  1
  H  H41  1  0.244469  0.640525  0.506483  1
  H  H42  1  0.382626  0.954297  0.519178  1
  H  H43  1  0.089043  0.424470  0.538545  1
  H  H44  1  0.227266  0.738255  0.551198  1
  H  H45  1  0.365282  0.052004  0.563880  1
  H  H46  1  0.520555  0.268010  0.531948  1
  H  H47  1  0.658244  0.581755  0.544880  1
  H  H48  1  0.795992  0.895199  0.557814  1
  H  H49  1  0.503113  0.365833  0.576698  1
  H  H50  1  0.640971  0.679958  0.589807  1
  H  H51  1  0.778363  0.992490  0.602846  1
  H  H52  1  0.933392  0.208383  0.570657  1
  H  H53  1  0.071580  0.522198  0.583304  1
  H  H54  1  0.210193  0.835786  0.595857  1
  H  H55  1  0.916866  0.306056  0.615535  1
  H  H56  1  0.054636  0.619224  0.628042  1
  H  H57  1  0.191840  0.933549  0.640234  1
  H  H58  1  0.348831  0.149900  0.608487  1
  H  H59  1  0.487502  0.464465  0.621369  1
  H  H60  1  0.622389  0.777221  0.635035  1
  H  H61  1  0.329565  0.250120  0.652716  1
  H  H62  1  0.463905  0.559810  0.666220  1
  H  H63  1  0.600768  0.875005  0.680406  1
  H  H64  1  0.757061  0.090589  0.647850  1
  H  H65  1  0.894301  0.401642  0.660423  1
  H  H66  1  0.033044  0.716913  0.672215  1
  H  H67  1  0.741286  0.182288  0.694037  1
  H  H68  1  0.888107  0.500550  0.704952  1
  H  H69  1  0.043853  0.827073  0.716527  1
  H  H70  1  0.176276  0.036316  0.683900  1
  H  H71  1  0.315067  0.342088  0.698163  1
  H  H72  1  0.460671  0.654938  0.711445  1
