# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64067332
_cell_length_b   11.46886514
_cell_length_c   49.98628036
_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   2087.14671419
_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  0.000116  0.060220  0.281885  1
  H  H2  1  0.000116  0.757908  0.304107  1
  H  H3  1  0.000116  0.455596  0.326330  1
  H  H4  1  0.000116  0.079891  0.295976  1
  H  H5  1  0.000116  0.777579  0.318198  1
  H  H6  1  0.000116  0.382201  0.273753  1
  H  H7  1  0.500116  0.955596  0.326330  1
  H  H8  1  0.500116  0.560220  0.281885  1
  H  H9  1  0.500116  0.257908  0.304107  1
  H  H10  1  0.500116  0.882201  0.273753  1
  H  H11  1  0.500116  0.579891  0.295976  1
  H  H12  1  0.500116  0.277579  0.318198  1
  H  H13  1  0.000116  0.153284  0.348552  1
  H  H14  1  0.000116  0.850973  0.370774  1
  H  H15  1  0.000116  0.548661  0.392996  1
  H  H16  1  0.000116  0.172955  0.362643  1
  H  H17  1  0.000116  0.870643  0.384865  1
  H  H18  1  0.000116  0.475267  0.340420  1
  H  H19  1  0.500116  0.048661  0.392996  1
  H  H20  1  0.500116  0.653284  0.348552  1
  H  H21  1  0.500116  0.350973  0.370774  1
  H  H22  1  0.500116  0.975267  0.340420  1
  H  H23  1  0.500116  0.672955  0.362643  1
  H  H24  1  0.500116  0.370643  0.384865  1
  H  H25  1  0.000116  0.246349  0.415218  1
  H  H26  1  0.000116  0.944037  0.437441  1
  H  H27  1  0.000116  0.641725  0.459663  1
  H  H28  1  0.000116  0.266019  0.429309  1
  H  H29  1  0.000116  0.963707  0.451532  1
  H  H30  1  0.000116  0.568331  0.407087  1
  H  H31  1  0.500116  0.141725  0.459663  1
  H  H32  1  0.500116  0.746349  0.415218  1
  H  H33  1  0.500116  0.444037  0.437441  1
  H  H34  1  0.500116  0.068331  0.407087  1
  H  H35  1  0.500116  0.766019  0.429309  1
  H  H36  1  0.500116  0.463707  0.451532  1
  H  H37  1  0.000116  0.339413  0.481885  1
  H  H38  1  0.000116  0.037101  0.504107  1
  H  H39  1  0.000116  0.734789  0.526330  1
  H  H40  1  0.000116  0.359083  0.495976  1
  H  H41  1  0.000116  0.056772  0.518198  1
  H  H42  1  0.000116  0.661395  0.473754  1
  H  H43  1  0.500116  0.234789  0.526330  1
  H  H44  1  0.500116  0.839413  0.481885  1
  H  H45  1  0.500116  0.537101  0.504107  1
  H  H46  1  0.500116  0.161395  0.473754  1
  H  H47  1  0.500116  0.859083  0.495976  1
  H  H48  1  0.500116  0.556772  0.518198  1
  H  H49  1  0.000116  0.432477  0.548552  1
  H  H50  1  0.000116  0.130166  0.570774  1
  H  H51  1  0.000116  0.827854  0.592996  1
  H  H52  1  0.000116  0.452148  0.562643  1
  H  H53  1  0.000116  0.149836  0.584865  1
  H  H54  1  0.000116  0.754460  0.540420  1
  H  H55  1  0.500116  0.327854  0.592996  1
  H  H56  1  0.500116  0.932477  0.548552  1
  H  H57  1  0.500116  0.630166  0.570774  1
  H  H58  1  0.500116  0.254460  0.540420  1
  H  H59  1  0.500116  0.952148  0.562643  1
  H  H60  1  0.500116  0.649836  0.584865  1
  H  H61  1  0.000116  0.525542  0.615218  1
  H  H62  1  0.000116  0.223230  0.637441  1
  H  H63  1  0.000116  0.920918  0.659663  1
  H  H64  1  0.000116  0.545212  0.629309  1
  H  H65  1  0.000116  0.242900  0.651532  1
  H  H66  1  0.000116  0.847524  0.607087  1
  H  H67  1  0.500116  0.420918  0.659663  1
  H  H68  1  0.500116  0.025542  0.615218  1
  H  H69  1  0.500116  0.723230  0.637441  1
  H  H70  1  0.500116  0.347524  0.607087  1
  H  H71  1  0.500116  0.045212  0.629309  1
  H  H72  1  0.500116  0.742900  0.651532  1
  H  H73  1  0.000116  0.618606  0.681885  1
  H  H74  1  0.000116  0.316294  0.704107  1
  H  H75  1  0.000116  0.013983  0.726330  1
  H  H76  1  0.000116  0.638276  0.695976  1
  H  H77  1  0.000116  0.335964  0.718198  1
  H  H78  1  0.000116  0.940588  0.673754  1
  H  H79  1  0.500116  0.513983  0.726330  1
  H  H80  1  0.500116  0.118606  0.681885  1
  H  H81  1  0.500116  0.816294  0.704107  1
  H  H82  1  0.500116  0.440588  0.673754  1
  H  H83  1  0.500116  0.138276  0.695976  1
  H  H84  1  0.500116  0.835964  0.718198  1
