# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27264519
_cell_length_b   9.65580356
_cell_length_c   34.90408738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.51179212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H39
_cell_volume   765.912260379
_cell_formula_units_Z   19
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  0.050582  0.814561  0.477412  1
  H  H2  1  0.551215  0.425628  0.488497  1
  H  H3  1  0.552759  0.202163  0.466410  1
  H  H4  1  0.551681  0.641363  0.512716  1
  H  H5  1  0.052694  0.251136  0.524978  1
  H  H6  1  0.051633  0.031360  0.501669  1
  H  H7  1  0.052788  0.468290  0.547854  1
  H  H8  1  0.553130  0.077838  0.559567  1
  H  H9  1  0.552234  0.859211  0.536818  1
  H  H10  1  0.553648  0.295926  0.582841  1
  H  H11  1  0.053887  -0.095061  0.594511  1
  H  H12  1  0.052954  0.686413  0.571093  1
  H  H13  1  0.054536  0.123146  0.617720  1
  H  H14  1  0.554592  0.732182  0.629303  1
  H  H15  1  0.554107  0.514069  0.605996  1
  H  H16  1  0.555244  -0.049639  0.652678  1
  H  H17  1  0.055468  0.559500  0.664255  1
  H  H18  1  0.054959  0.341358  0.641002  1
  H  H19  1  0.056033  0.777630  0.687586  1
  H  H20  1  0.556261  0.386721  0.699227  1
  H  H21  1  0.555804  0.168539  0.675945  1
  H  H22  1  0.556821  0.604899  0.722494  1
  H  H23  1  0.057107  0.213902  0.734170  1
  H  H24  1  0.056597  -0.004240  0.710918  1
  H  H25  1  0.057529  0.432113  0.757452  1
  H  H26  1  0.557958  0.041191  0.769176  1
  H  H27  1  0.557473  0.823077  0.745870  1
  H  H28  1  0.558418  0.259334  0.792331  1
  H  H29  1  0.059112  0.868847  0.804079  1
  H  H30  1  0.058178  0.650321  0.780661  1
  H  H31  1  0.059277  0.086970  0.827318  1
  H  H32  1  0.559831  0.696049  0.838354  1
  H  H33  1  0.558935  0.477421  0.815605  1
  H  H34  1  0.560385  -0.086103  0.862456  1
  H  H35  1  0.060432  0.523899  0.873503  1
  H  H36  1  0.059372  0.304124  0.850194  1
  H  H37  1  0.061484  0.740699  0.897760  1
  H  H38  1  0.559307  0.353096  0.908762  1
  H  H39  1  0.560850  0.129632  0.886675  1
