# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.40921661
_cell_length_b   8.62162673
_cell_length_c   52.95138430
_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   H54
_cell_volume   1099.87260124
_cell_formula_units_Z   27
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  0.546103  0.929331  0.258579  1
  H  H2  1  0.546103  0.530510  0.292899  1
  H  H3  1  0.546103  0.196852  0.265985  1
  H  H4  1  0.046103  0.030055  0.292978  1
  H  H5  1  0.046103  0.696996  0.265910  1
  H  H6  1  0.046103  0.429223  0.258553  1
  H  H7  1  0.546103  0.803810  0.299847  1
  H  H8  1  0.546103  0.412455  0.333709  1
  H  H9  1  0.546103  0.136418  0.325647  1
  H  H10  1  0.046103  0.910554  0.333810  1
  H  H11  1  0.046103  0.635809  0.325731  1
  H  H12  1  0.046103  0.304314  0.299851  1
  H  H13  1  0.546103  0.736903  0.358476  1
  H  H14  1  0.546103  0.329798  0.391651  1
  H  H15  1  0.546103  0.023129  0.367285  1
  H  H16  1  0.046103  0.847737  0.390114  1
  H  H17  1  0.046103  0.513971  0.368505  1
  H  H18  1  0.046103  0.241703  0.358422  1
  H  H19  1  0.546103  0.634755  0.401387  1
  H  H20  1  0.546103  0.241161  0.435369  1
  H  H21  1  0.546103  0.912078  0.424605  1
  H  H22  1  0.046103  0.700527  0.438910  1
  H  H23  1  0.046103  0.450599  0.421844  1
  H  H24  1  0.046103  0.109915  0.403578  1
  H  H25  1  0.546103  0.494817  0.457536  1
  H  H26  1  0.546103  0.084890  0.489632  1
  H  H27  1  0.546103  0.840426  0.469521  1
  H  H28  1  0.046103  0.636993  0.485340  1
  H  H29  1  0.046103  0.291383  0.473355  1
  H  H30  1  0.046103  0.046919  0.453244  1
  H  H31  1  0.546103  0.431283  0.503966  1
  H  H32  1  0.546103  0.021894  0.539299  1
  H  H33  1  0.546103  0.681210  0.521032  1
  H  H34  1  0.046103  0.497054  0.541489  1
  H  H35  1  0.046103  0.219731  0.518271  1
  H  H36  1  0.046103  0.890649  0.507507  1
  H  H37  1  0.546103  0.284072  0.552762  1
  H  H38  1  0.546103  0.890106  0.584454  1
  H  H39  1  0.546103  0.617838  0.574371  1
  H  H40  1  0.046103  0.394907  0.584400  1
  H  H41  1  0.046103  0.108681  0.575591  1
  H  H42  1  0.046103  0.802011  0.551225  1
  H  H43  1  0.546103  0.221255  0.609066  1
  H  H44  1  0.546103  0.827496  0.643025  1
  H  H45  1  0.546103  0.496001  0.617145  1
  H  H46  1  0.046103  0.327999  0.643029  1
  H  H47  1  0.046103  -0.004609  0.617230  1
  H  H48  1  0.046103  0.719355  0.609167  1
  H  H49  1  0.546103  0.101754  0.649898  1
  H  H50  1  0.546103  0.702586  0.684324  1
  H  H51  1  0.546103  0.434813  0.676966  1
  H  H52  1  0.046103  0.202478  0.684297  1
  H  H53  1  0.046103  0.934957  0.676891  1
  H  H54  1  0.046103  0.601299  0.649977  1
