# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26600854
_cell_length_b   9.70963478
_cell_length_c   42.02678291
_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   H45
_cell_volume   924.67812454
_cell_formula_units_Z   22
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  0.669496  0.783609  0.355675  1
  H  H2  1  0.169496  0.171264  0.346526  1
  H  H3  1  0.169496  0.394202  0.364896  1
  H  H4  1  0.169496  0.609810  0.384922  1
  H  H5  1  0.669496  1.000052  0.375764  1
  H  H6  1  0.669496  0.219388  0.395222  1
  H  H7  1  0.669496  0.436424  0.414223  1
  H  H8  1  0.169496  0.827450  0.405029  1
  H  H9  1  0.169496  0.045765  0.423964  1
  H  H10  1  0.169496  0.263680  0.443342  1
  H  H11  1  0.669496  0.654339  0.433529  1
  H  H12  1  0.669496  0.872552  0.453038  1
  H  H13  1  0.669496  0.090526  0.472348  1
  H  H14  1  0.169496  0.481612  0.462596  1
  H  H15  1  0.169496  0.699449  0.481976  1
  H  H16  1  0.169496  0.917389  0.501428  1
  H  H17  1  0.669496  0.308516  0.491729  1
  H  H18  1  0.669496  0.526399  0.511077  1
  H  H19  1  0.669496  0.744264  0.530463  1
  H  H20  1  0.169496  0.135344  0.520794  1
  H  H21  1  0.169496  0.353278  0.540181  1
  H  H22  1  0.169496  0.571166  0.559556  1
  H  H23  1  0.669496  0.962196  0.549868  1
  H  H24  1  0.669496  0.180135  0.569243  1
  H  H25  1  0.669496  0.398067  0.588648  1
  H  H26  1  0.169496  0.789053  0.578930  1
  H  H27  1  0.169496  1.006987  0.598317  1
  H  H28  1  0.169496  0.224942  0.617683  1
  H  H29  1  0.669496  0.615932  0.608034  1
  H  H30  1  0.669496  0.833815  0.627382  1
  H  H31  1  0.669496  0.051805  0.646763  1
  H  H32  1  0.169496  0.442883  0.637135  1
  H  H33  1  0.169496  0.660720  0.656515  1
  H  H34  1  0.169496  0.878651  0.675769  1
  H  H35  1  0.669496  0.269780  0.666073  1
  H  H36  1  0.669496  0.487992  0.685583  1
  H  H37  1  0.669496  0.705907  0.704888  1
  H  H38  1  0.169496  0.096566  0.695147  1
  H  H39  1  0.169496  0.314881  0.714083  1
  H  H40  1  0.169496  0.532522  0.734189  1
  H  H41  1  0.669496  0.922943  0.723889  1
  H  H42  1  0.669496  0.142280  0.743347  1
  H  H43  1  0.669496  0.358722  0.763437  1
  H  H44  1  0.169496  0.748130  0.754215  1
  H  H45  1  0.169496  0.971067  0.772585  1
