# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64152136
_cell_length_b   8.08017921
_cell_length_c   47.31410420
_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   H56
_cell_volume   1392.17707105
_cell_formula_units_Z   28
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  0.000000  0.324263  0.292955  1
  H  H2  1  0.000000  0.918050  0.326289  1
  H  H3  1  0.000000  0.363905  0.307045  1
  H  H4  1  0.000000  0.770118  0.273711  1
  H  H5  1  0.500000  0.027369  0.276289  1
  H  H6  1  0.500000  0.621156  0.309622  1
  H  H7  1  0.500000  0.067011  0.290378  1
  H  H8  1  0.500000  0.660798  0.323711  1
  H  H9  1  0.000000  0.511837  0.359622  1
  H  H10  1  0.000000  0.105624  0.392955  1
  H  H11  1  0.000000  0.551479  0.373711  1
  H  H12  1  0.000000  0.957692  0.340378  1
  H  H13  1  0.500000  0.214943  0.342955  1
  H  H14  1  0.500000  0.808730  0.376289  1
  H  H15  1  0.500000  0.254585  0.357045  1
  H  H16  1  0.500000  0.848373  0.390378  1
  H  H17  1  0.000000  0.699411  0.426289  1
  H  H18  1  0.000000  0.293198  0.459622  1
  H  H19  1  0.000000  0.739053  0.440378  1
  H  H20  1  0.000000  0.145266  0.407045  1
  H  H21  1  0.500000  0.402517  0.409622  1
  H  H22  1  0.500000  0.996304  0.442955  1
  H  H23  1  0.500000  0.442160  0.423711  1
  H  H24  1  0.500000  0.035947  0.457045  1
  H  H25  1  0.000000  0.886985  0.492955  1
  H  H26  1  0.000000  0.480772  0.526289  1
  H  H27  1  0.000000  0.926627  0.507045  1
  H  H28  1  0.000000  0.332840  0.473711  1
  H  H29  1  0.500000  0.590092  0.476289  1
  H  H30  1  0.500000  0.183879  0.509622  1
  H  H31  1  0.500000  0.629734  0.490378  1
  H  H32  1  0.500000  0.223521  0.523711  1
  H  H33  1  0.000000  0.074559  0.559622  1
  H  H34  1  0.000000  0.668346  0.592955  1
  H  H35  1  0.000000  0.114202  0.573711  1
  H  H36  1  0.000000  0.520414  0.540378  1
  H  H37  1  0.500000  0.777666  0.542955  1
  H  H38  1  0.500000  0.371453  0.576289  1
  H  H39  1  0.500000  0.817308  0.557045  1
  H  H40  1  0.500000  0.411095  0.590378  1
  H  H41  1  0.000000  0.262133  0.626289  1
  H  H42  1  0.000000  0.855920  0.659622  1
  H  H43  1  0.000000  0.301776  0.640378  1
  H  H44  1  0.000000  0.707989  0.607045  1
  H  H45  1  0.500000  0.965240  0.609622  1
  H  H46  1  0.500000  0.559027  0.642955  1
  H  H47  1  0.500000  0.004882  0.623711  1
  H  H48  1  0.500000  0.598669  0.657045  1
  H  H49  1  0.000000  0.449708  0.692955  1
  H  H50  1  0.000000  0.043495  0.726289  1
  H  H51  1  0.000000  0.489350  0.707045  1
  H  H52  1  0.000000  0.895563  0.673711  1
  H  H53  1  0.500000  0.152814  0.676289  1
  H  H54  1  0.500000  0.746601  0.709622  1
  H  H55  1  0.500000  0.192456  0.690378  1
  H  H56  1  0.500000  0.786243  0.723711  1
