# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42253728
_cell_length_b   14.15633560
_cell_length_c   47.93335540
_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   H84
_cell_volume   2322.39917709
_cell_formula_units_Z   42
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  0.500003  0.066042  0.337066  1
  H  H2  1  0.500003  0.438343  0.316233  1
  H  H3  1  0.500003  0.810645  0.295399  1
  H  H4  1  0.500003  0.392612  0.308772  1
  H  H5  1  0.500003  0.764914  0.287938  1
  H  H6  1  0.500003  0.020311  0.329605  1
  H  H7  1  1.000003  0.252193  0.326649  1
  H  H8  1  1.000003  0.624494  0.305816  1
  H  H9  1  1.000003  0.996796  0.284983  1
  H  H10  1  1.000003  0.206462  0.319188  1
  H  H11  1  1.000003  0.578763  0.298355  1
  H  H12  1  1.000003  0.834160  0.340022  1
  H  H13  1  0.500003  0.949138  0.399566  1
  H  H14  1  0.500003  0.321439  0.378733  1
  H  H15  1  0.500003  0.693741  0.357899  1
  H  H16  1  0.500003  0.275708  0.371272  1
  H  H17  1  0.500003  0.648009  0.350438  1
  H  H18  1  0.500003  0.903407  0.392105  1
  H  H19  1  1.000003  0.135288  0.389149  1
  H  H20  1  1.000003  0.507590  0.368316  1
  H  H21  1  1.000003  0.879891  0.347483  1
  H  H22  1  1.000003  0.089557  0.381688  1
  H  H23  1  1.000003  0.461859  0.360855  1
  H  H24  1  1.000003  0.717256  0.402522  1
  H  H25  1  0.500003  0.832233  0.462066  1
  H  H26  1  0.500003  0.204535  0.441233  1
  H  H27  1  0.500003  0.576836  0.420399  1
  H  H28  1  0.500003  0.158804  0.433772  1
  H  H29  1  0.500003  0.531105  0.412938  1
  H  H30  1  0.500003  0.786502  0.454605  1
  H  H31  1  1.000003  0.018384  0.451649  1
  H  H32  1  1.000003  0.390685  0.430816  1
  H  H33  1  1.000003  0.762987  0.409983  1
  H  H34  1  1.000003  0.972653  0.444188  1
  H  H35  1  1.000003  0.344954  0.423355  1
  H  H36  1  1.000003  0.600351  0.465022  1
  H  H37  1  0.500003  0.715329  0.524566  1
  H  H38  1  0.500003  0.087630  0.503733  1
  H  H39  1  0.500003  0.459932  0.482899  1
  H  H40  1  0.500003  0.041899  0.496272  1
  H  H41  1  0.500003  0.414201  0.475438  1
  H  H42  1  0.500003  0.669598  0.517105  1
  H  H43  1  1.000003  0.901480  0.514149  1
  H  H44  1  1.000003  0.273781  0.493316  1
  H  H45  1  1.000003  0.646082  0.472483  1
  H  H46  1  1.000003  0.855748  0.506688  1
  H  H47  1  1.000003  0.228050  0.485855  1
  H  H48  1  1.000003  0.483447  0.527522  1
  H  H49  1  0.500003  0.598424  0.587066  1
  H  H50  1  0.500003  0.970726  0.566233  1
  H  H51  1  0.500003  0.343027  0.545399  1
  H  H52  1  0.500003  0.924995  0.558772  1
  H  H53  1  0.500003  0.297296  0.537938  1
  H  H54  1  0.500003  0.552693  0.579605  1
  H  H55  1  1.000003  0.784575  0.576649  1
  H  H56  1  1.000003  0.156877  0.555816  1
  H  H57  1  1.000003  0.529178  0.534983  1
  H  H58  1  1.000003  0.738844  0.569188  1
  H  H59  1  1.000003  0.111146  0.548355  1
  H  H60  1  1.000003  0.366543  0.590022  1
  H  H61  1  0.500003  0.481520  0.649566  1
  H  H62  1  0.500003  0.853822  0.628733  1
  H  H63  1  0.500003  0.226123  0.607899  1
  H  H64  1  0.500003  0.808090  0.621272  1
  H  H65  1  0.500003  0.180392  0.600438  1
  H  H66  1  0.500003  0.435789  0.642105  1
  H  H67  1  1.000003  0.667671  0.639149  1
  H  H68  1  1.000003  0.039972  0.618316  1
  H  H69  1  1.000003  0.412274  0.597483  1
  H  H70  1  1.000003  0.621940  0.631688  1
  H  H71  1  1.000003  0.994241  0.610855  1
  H  H72  1  1.000003  0.249638  0.652522  1
  H  H73  1  0.500003  0.364616  0.712066  1
  H  H74  1  0.500003  0.736917  0.691233  1
  H  H75  1  0.500003  0.109219  0.670399  1
  H  H76  1  0.500003  0.691186  0.683772  1
  H  H77  1  0.500003  0.063487  0.662938  1
  H  H78  1  0.500003  0.318885  0.704605  1
  H  H79  1  1.000003  0.550766  0.701649  1
  H  H80  1  1.000003  0.923068  0.680816  1
  H  H81  1  1.000003  0.295369  0.659983  1
  H  H82  1  1.000003  0.505035  0.694188  1
  H  H83  1  1.000003  0.877337  0.673355  1
  H  H84  1  1.000003  0.132734  0.715022  1
