# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42256050
_cell_length_b   11.06733731
_cell_length_c   49.81620758
_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   H72
_cell_volume   1886.96976989
_cell_formula_units_Z   36
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  0.069617  0.314579  1
  H  H2  1  0.500000  0.782713  0.340220  1
  H  H3  1  0.500000  0.356522  0.288938  1
  H  H4  1  0.500000  0.044677  0.300805  1
  H  H5  1  0.500000  0.757772  0.326446  1
  H  H6  1  0.500000  0.331581  0.275164  1
  H  H7  1  1.000000  0.282713  0.340220  1
  H  H8  1  1.000000  0.856522  0.288938  1
  H  H9  1  1.000000  0.569617  0.314579  1
  H  H10  1  1.000000  0.257772  0.326446  1
  H  H11  1  0.000000  0.831581  0.275164  1
  H  H12  1  1.000000  0.544677  0.300805  1
  H  H13  1  0.500000  0.208904  0.391502  1
  H  H14  1  0.500000  0.922000  0.417143  1
  H  H15  1  0.500000  0.495808  0.365861  1
  H  H16  1  0.500000  0.183964  0.377729  1
  H  H17  1  0.500000  0.897059  0.403370  1
  H  H18  1  0.500000  0.470868  0.352087  1
  H  H19  1  1.000000  0.422000  0.417143  1
  H  H20  1  1.000000  0.995808  0.365861  1
  H  H21  1  1.000000  0.708904  0.391502  1
  H  H22  1  1.000000  0.397059  0.403370  1
  H  H23  1  1.000000  0.970868  0.352087  1
  H  H24  1  1.000000  0.683964  0.377729  1
  H  H25  1  0.500000  0.348191  0.468425  1
  H  H26  1  0.500000  0.061286  0.494066  1
  H  H27  1  0.500000  0.635095  0.442784  1
  H  H28  1  0.500000  0.323250  0.454652  1
  H  H29  1  0.500000  0.036346  0.480293  1
  H  H30  1  0.500000  0.610155  0.429011  1
  H  H31  1  1.000000  0.561286  0.494066  1
  H  H32  1  1.000000  0.135095  0.442784  1
  H  H33  1  1.000000  0.848191  0.468425  1
  H  H34  1  1.000000  0.536346  0.480293  1
  H  H35  1  1.000000  0.110155  0.429011  1
  H  H36  1  1.000000  0.823250  0.454652  1
  H  H37  1  0.500000  0.487478  0.545348  1
  H  H38  1  0.500000  0.200573  0.570989  1
  H  H39  1  0.500000  0.774382  0.519707  1
  H  H40  1  0.500000  0.462537  0.531575  1
  H  H41  1  0.500000  0.175633  0.557216  1
  H  H42  1  0.500000  0.749441  0.505934  1
  H  H43  1  1.000000  0.700573  0.570989  1
  H  H44  1  1.000000  0.274382  0.519707  1
  H  H45  1  1.000000  0.987478  0.545348  1
  H  H46  1  1.000000  0.675633  0.557216  1
  H  H47  1  1.000000  0.249441  0.505934  1
  H  H48  1  1.000000  0.962537  0.531575  1
  H  H49  1  0.500000  0.626764  0.622271  1
  H  H50  1  0.500000  0.339860  0.647913  1
  H  H51  1  0.500000  0.913669  0.596630  1
  H  H52  1  0.500000  0.601824  0.608498  1
  H  H53  1  0.500000  0.314919  0.634139  1
  H  H54  1  0.500000  0.888728  0.582857  1
  H  H55  1  1.000000  0.839860  0.647913  1
  H  H56  1  1.000000  0.413669  0.596630  1
  H  H57  1  1.000000  0.126764  0.622271  1
  H  H58  1  1.000000  0.814919  0.634139  1
  H  H59  1  1.000000  0.388728  0.582857  1
  H  H60  1  1.000000  0.101824  0.608498  1
  H  H61  1  0.500000  0.766051  0.699195  1
  H  H62  1  0.500000  0.479147  0.724836  1
  H  H63  1  0.500000  0.052955  0.673554  1
  H  H64  1  0.500000  0.741111  0.685421  1
  H  H65  1  0.500000  0.454206  0.711062  1
  H  H66  1  0.500000  0.028015  0.659780  1
  H  H67  1  0.000000  0.979147  0.724836  1
  H  H68  1  1.000000  0.552955  0.673554  1
  H  H69  1  1.000000  0.266051  0.699195  1
  H  H70  1  1.000000  0.954206  0.711062  1
  H  H71  1  1.000000  0.528015  0.659780  1
  H  H72  1  1.000000  0.241111  0.685421  1
