# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45678800
_cell_length_b   13.77078397
_cell_length_c   47.56066967
_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   2918.9630825
_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  0.940002  0.292586  1
  H  H2  1  0.500000  0.133678  0.340205  1
  H  H3  1  0.500000  0.536840  0.316396  1
  H  H4  1  0.000000  0.779360  0.314557  1
  H  H5  1  0.000000  0.182522  0.290747  1
  H  H6  1  0.000000  0.376198  0.338366  1
  H  H7  1  0.000000  0.932097  0.352110  1
  H  H8  1  0.000000  0.335259  0.328301  1
  H  H9  1  0.000000  0.738421  0.304491  1
  H  H10  1  0.500000  0.980941  0.302652  1
  H  H11  1  0.500000  0.174616  0.350271  1
  H  H12  1  0.500000  0.577779  0.326461  1
  H  H13  1  0.500000  0.730516  0.364015  1
  H  H14  1  0.500000  0.924191  0.411634  1
  H  H15  1  0.500000  0.327353  0.387824  1
  H  H16  1  0.000000  0.569873  0.385985  1
  H  H17  1  0.000000  0.973035  0.362176  1
  H  H18  1  0.000000  0.166711  0.409795  1
  H  H19  1  0.000000  0.722610  0.423539  1
  H  H20  1  0.000000  0.125772  0.399729  1
  H  H21  1  0.000000  0.528935  0.375920  1
  H  H22  1  0.500000  0.771454  0.374080  1
  H  H23  1  0.500000  0.965130  0.421699  1
  H  H24  1  0.500000  0.368292  0.397890  1
  H  H25  1  0.500000  0.521029  0.435443  1
  H  H26  1  0.500000  0.714704  0.483062  1
  H  H27  1  0.500000  0.117867  0.459253  1
  H  H28  1  0.000000  0.360386  0.457414  1
  H  H29  1  0.000000  0.763549  0.433604  1
  H  H30  1  0.000000  0.957224  0.481223  1
  H  H31  1  0.000000  0.513123  0.494967  1
  H  H32  1  0.000000  0.916285  0.471158  1
  H  H33  1  0.000000  0.319448  0.447348  1
  H  H34  1  0.500000  0.561967  0.445509  1
  H  H35  1  0.500000  0.755643  0.493128  1
  H  H36  1  0.500000  0.158805  0.469319  1
  H  H37  1  0.500000  0.311542  0.506872  1
  H  H38  1  0.500000  0.505218  0.554491  1
  H  H39  1  0.500000  0.908380  0.530681  1
  H  H40  1  0.000000  0.150900  0.528842  1
  H  H41  1  0.000000  0.554062  0.505033  1
  H  H42  1  0.000000  0.747737  0.552652  1
  H  H43  1  0.000000  0.303636  0.566396  1
  H  H44  1  0.000000  0.706799  0.542586  1
  H  H45  1  0.000000  0.109961  0.518777  1
  H  H46  1  0.500000  0.352481  0.516938  1
  H  H47  1  0.500000  0.546156  0.564557  1
  H  H48  1  0.500000  0.949318  0.540747  1
  H  H49  1  0.500000  0.102055  0.578301  1
  H  H50  1  0.500000  0.295731  0.625920  1
  H  H51  1  0.500000  0.698893  0.602110  1
  H  H52  1  0.000000  0.941413  0.600271  1
  H  H53  1  0.000000  0.344575  0.576461  1
  H  H54  1  0.000000  0.538250  0.624080  1
  H  H55  1  0.000000  0.094150  0.637824  1
  H  H56  1  0.000000  0.497312  0.614015  1
  H  H57  1  0.000000  0.900474  0.590205  1
  H  H58  1  0.500000  0.142994  0.588366  1
  H  H59  1  0.500000  0.336669  0.635985  1
  H  H60  1  0.500000  0.739832  0.612176  1
  H  H61  1  0.500000  0.892569  0.649729  1
  H  H62  1  0.500000  0.086244  0.697348  1
  H  H63  1  0.500000  0.489406  0.673539  1
  H  H64  1  0.000000  0.731926  0.671699  1
  H  H65  1  0.000000  0.135088  0.647890  1
  H  H66  1  0.000000  0.328764  0.695509  1
  H  H67  1  0.000000  0.884663  0.709253  1
  H  H68  1  0.000000  0.287825  0.685443  1
  H  H69  1  0.000000  0.690987  0.661634  1
  H  H70  1  0.500000  0.933507  0.659795  1
  H  H71  1  0.500000  0.127183  0.707414  1
  H  H72  1  0.500000  0.530345  0.683604  1
