# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28227933
_cell_length_b   2.88335333
_cell_length_c   46.79154632
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.40184155
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   544.280298421
_cell_formula_units_Z   16
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  0.056062  0.297269  0.305805  1
  H  H2  1  0.278968  0.186207  0.291024  1
  H  H3  1  0.467363  0.092341  0.278531  1
  H  H4  1  0.431286  0.608560  0.347235  1
  H  H5  1  0.639638  0.504750  0.333419  1
  H  H6  1  0.851661  0.399110  0.319359  1
  H  H7  1  0.802428  0.921885  0.388935  1
  H  H8  1  0.012028  0.817454  0.375036  1
  H  H9  1  0.221266  0.713201  0.361161  1
  H  H10  1  0.174013  0.234990  0.430606  1
  H  H11  1  0.383487  0.130621  0.416716  1
  H  H12  1  0.592996  0.026234  0.402823  1
  H  H13  1  0.545554  0.548116  0.472280  1
  H  H14  1  0.755041  0.443741  0.458389  1
  H  H15  1  0.964523  0.339367  0.444498  1
  H  H16  1  0.917100  0.861241  0.513954  1
  H  H17  1  0.126585  0.756866  0.500063  1
  H  H18  1  0.336070  0.652491  0.486172  1
  H  H19  1  0.288647  0.174364  0.555628  1
  H  H20  1  0.498129  0.069990  0.541737  1
  H  H21  1  0.707616  0.965615  0.527845  1
  H  H22  1  0.660174  0.487498  0.597303  1
  H  H23  1  0.869683  0.383110  0.583410  1
  H  H24  1  0.079157  0.278741  0.569519  1
  H  H25  1  0.031904  0.800530  0.638964  1
  H  H26  1  0.241142  0.696278  0.625089  1
  H  H27  1  0.450742  0.591846  0.611190  1
  H  H28  1  0.401509  0.114621  0.680767  1
  H  H29  1  0.613532  0.008981  0.666707  1
  H  H30  1  0.821884  0.905171  0.652891  1
  H  H31  1  0.785807  0.421391  0.721595  1
  H  H32  1  0.974202  0.327524  0.709102  1
  H  H33  1  0.197108  0.216463  0.694321  1
