# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45678800
_cell_length_b   8.29656713
_cell_length_c   48.86886420
_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   H48
_cell_volume   1806.97711739
_cell_formula_units_Z   24
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  0.500000  0.985994  0.322858  1
  H  H2  1  0.500000  0.630278  0.284397  1
  H  H3  1  0.000000  0.027610  0.273296  1
  H  H4  1  0.000000  0.383326  0.311757  1
  H  H5  1  0.000000  0.308136  0.303627  1
  H  H6  1  0.000000  0.663852  0.342089  1
  H  H7  1  0.500000  0.061184  0.330988  1
  H  H8  1  0.500000  0.705468  0.292526  1
  H  H9  1  0.500000  0.697427  0.399781  1
  H  H10  1  0.500000  0.341710  0.361320  1
  H  H11  1  0.000000  0.739042  0.350219  1
  H  H12  1  0.000000  0.094759  0.388680  1
  H  H13  1  0.000000  0.019568  0.380550  1
  H  H14  1  0.000000  0.375285  0.419012  1
  H  H15  1  0.500000  0.772617  0.407911  1
  H  H16  1  0.500000  0.416901  0.369450  1
  H  H17  1  0.500000  0.408859  0.476704  1
  H  H18  1  0.500000  0.053143  0.438243  1
  H  H19  1  0.000000  0.450475  0.427142  1
  H  H20  1  0.000000  0.806191  0.465603  1
  H  H21  1  0.000000  0.731001  0.457474  1
  H  H22  1  0.000000  0.086717  0.495935  1
  H  H23  1  0.500000  0.484050  0.484834  1
  H  H24  1  0.500000  0.128333  0.446373  1
  H  H25  1  0.500000  0.120292  0.553627  1
  H  H26  1  0.500000  0.764576  0.515166  1
  H  H27  1  0.000000  0.161908  0.504065  1
  H  H28  1  0.000000  0.517624  0.542526  1
  H  H29  1  0.000000  0.442434  0.534397  1
  H  H30  1  0.000000  0.798150  0.572858  1
  H  H31  1  0.500000  0.195482  0.561757  1
  H  H32  1  0.500000  0.839766  0.523296  1
  H  H33  1  0.500000  0.831725  0.630550  1
  H  H34  1  0.500000  0.476008  0.592089  1
  H  H35  1  0.000000  0.873341  0.580988  1
  H  H36  1  0.000000  0.229057  0.619450  1
  H  H37  1  0.000000  0.153867  0.611320  1
  H  H38  1  0.000000  0.509583  0.649781  1
  H  H39  1  0.500000  0.906915  0.638680  1
  H  H40  1  0.500000  0.551199  0.600219  1
  H  H41  1  0.500000  0.543157  0.707474  1
  H  H42  1  0.500000  0.187441  0.669012  1
  H  H43  1  0.000000  0.584773  0.657911  1
  H  H44  1  0.000000  0.940490  0.696373  1
  H  H45  1  0.000000  0.865299  0.688243  1
  H  H46  1  0.000000  0.221016  0.726704  1
  H  H47  1  0.500000  0.618348  0.715603  1
  H  H48  1  0.500000  0.262631  0.677142  1
