# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20025404
_cell_length_b   5.10894480
_cell_length_c   50.38531254
_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   H40
_cell_volume   823.795890661
_cell_formula_units_Z   20
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  0.521047  0.630141  0.260128  1
  H  H2  1  0.521047  1.046557  0.282576  1
  H  H3  1  0.021047  0.942006  0.249489  1
  H  H4  1  0.021047  0.340467  0.271545  1
  H  H5  1  0.521047  0.456976  0.304359  1
  H  H6  1  0.521047  0.867049  0.325843  1
  H  H7  1  0.021047  0.750948  0.293402  1
  H  H8  1  0.021047  0.161875  0.315032  1
  H  H9  1  0.521047  0.277165  0.347599  1
  H  H10  1  0.521047  0.687637  0.369317  1
  H  H11  1  0.021047  0.572210  0.336744  1
  H  H12  1  1.021047  0.982415  0.358442  1
  H  H13  1  0.521047  0.097998  0.391063  1
  H  H14  1  0.521047  0.508419  0.412802  1
  H  H15  1  1.021047  0.392800  0.380195  1
  H  H16  1  1.021047  0.803216  0.401930  1
  H  H17  1  0.521047  0.918819  0.434543  1
  H  H18  1  0.521047  0.329228  0.456284  1
  H  H19  1  1.021047  0.213616  0.423674  1
  H  H20  1  1.021047  0.624025  0.445413  1
  H  H21  1  0.521047  0.739630  0.478025  1
  H  H22  1  0.521047  0.150039  0.499764  1
  H  H23  1  1.021047  1.034428  0.467154  1
  H  H24  1  1.021047  0.444836  0.488895  1
  H  H25  1  0.521047  0.560439  0.521508  1
  H  H26  1  0.521047  0.970855  0.543243  1
  H  H27  1  1.021047  0.855236  0.510635  1
  H  H28  1  1.021047  0.265657  0.532375  1
  H  H29  1  0.521047  0.381240  0.564996  1
  H  H30  1  0.521047  0.791446  0.586694  1
  H  H31  1  0.021047  0.676019  0.554120  1
  H  H32  1  0.021047  0.086490  0.575838  1
  H  H33  1  0.521047  0.201780  0.608406  1
  H  H34  1  0.521047  0.612708  0.630036  1
  H  H35  1  0.021047  0.496606  0.597595  1
  H  H36  1  0.021047  0.906679  0.619079  1
  H  H37  1  0.521047  1.023189  0.651892  1
  H  H38  1  0.521047  0.421650  0.673948  1
  H  H39  1  0.021047  0.317098  0.640862  1
  H  H40  1  0.021047  0.733515  0.663309  1
