# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84844553
_cell_length_b   11.00025980
_cell_length_c   47.82148004
_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   H80
_cell_volume   2024.46978681
_cell_formula_units_Z   40
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  0.571763  0.503488  0.338646  1
  H  H2  1  0.571763  0.100347  0.293191  1
  H  H3  1  0.928237  0.705059  0.361373  1
  H  H4  1  0.928237  0.301917  0.315918  1
  H  H5  1  0.071763  0.342065  0.320445  1
  H  H6  1  0.071763  0.938924  0.274991  1
  H  H7  1  0.428237  0.543636  0.343172  1
  H  H8  1  0.428237  0.140495  0.297718  1
  H  H9  1  0.571763  0.801917  0.315918  1
  H  H10  1  0.571763  0.205059  0.361373  1
  H  H11  1  0.928237  0.600347  0.293191  1
  H  H12  1  0.928237  0.003488  0.338646  1
  H  H13  1  0.071763  0.640495  0.297718  1
  H  H14  1  0.071763  0.043636  0.343172  1
  H  H15  1  0.428237  0.438924  0.274991  1
  H  H16  1  0.428237  0.842065  0.320445  1
  H  H17  1  0.571763  0.309772  0.429555  1
  H  H18  1  0.571763  0.906630  0.384100  1
  H  H19  1  0.928237  0.511342  0.452282  1
  H  H20  1  0.928237  0.108201  0.406828  1
  H  H21  1  0.071763  0.148349  0.411354  1
  H  H22  1  0.071763  0.745207  0.365900  1
  H  H23  1  0.428237  0.349920  0.434082  1
  H  H24  1  0.428237  0.946778  0.388627  1
  H  H25  1  0.571763  0.608201  0.406828  1
  H  H26  1  0.571763  0.011342  0.452282  1
  H  H27  1  0.928237  0.406630  0.384100  1
  H  H28  1  0.928237  0.809772  0.429555  1
  H  H29  1  0.071763  0.446778  0.388627  1
  H  H30  1  0.071763  0.849920  0.434082  1
  H  H31  1  0.428237  0.245207  0.365900  1
  H  H32  1  0.428237  0.648349  0.411354  1
  H  H33  1  0.571763  0.116055  0.520464  1
  H  H34  1  0.571763  0.712913  0.475009  1
  H  H35  1  0.928237  0.317626  0.543191  1
  H  H36  1  0.928237  0.914484  0.497737  1
  H  H37  1  0.071763  0.954632  0.502263  1
  H  H38  1  0.071763  0.551490  0.456809  1
  H  H39  1  0.428237  0.156203  0.524991  1
  H  H40  1  0.428237  0.753061  0.479536  1
  H  H41  1  0.571763  0.414484  0.497737  1
  H  H42  1  0.571763  0.817626  0.543191  1
  H  H43  1  0.928237  0.212913  0.475009  1
  H  H44  1  0.928237  0.616055  0.520464  1
  H  H45  1  0.071763  0.253061  0.479536  1
  H  H46  1  0.071763  0.656203  0.524991  1
  H  H47  1  0.428237  0.051490  0.456809  1
  H  H48  1  0.428237  0.454632  0.502263  1
  H  H49  1  0.571763  0.922338  0.611373  1
  H  H50  1  0.571763  0.519196  0.565918  1
  H  H51  1  0.928237  0.123909  0.634100  1
  H  H52  1  0.928237  0.720767  0.588646  1
  H  H53  1  0.071763  0.760915  0.593172  1
  H  H54  1  0.071763  0.357774  0.547718  1
  H  H55  1  0.428237  0.962486  0.615900  1
  H  H56  1  0.428237  0.559344  0.570445  1
  H  H57  1  0.571763  0.220767  0.588646  1
  H  H58  1  0.571763  0.623909  0.634100  1
  H  H59  1  0.928237  0.019196  0.565918  1
  H  H60  1  0.928237  0.422338  0.611373  1
  H  H61  1  0.071763  0.059344  0.570445  1
  H  H62  1  0.071763  0.462486  0.615900  1
  H  H63  1  0.428237  0.857774  0.547718  1
  H  H64  1  0.428237  0.260915  0.593172  1
  H  H65  1  0.571763  0.728621  0.702282  1
  H  H66  1  0.571763  0.325480  0.656828  1
  H  H67  1  0.928237  0.930192  0.725009  1
  H  H68  1  0.928237  0.527051  0.679555  1
  H  H69  1  0.071763  0.567199  0.684082  1
  H  H70  1  0.071763  0.164057  0.638627  1
  H  H71  1  0.428237  0.768769  0.706809  1
  H  H72  1  0.428237  0.365628  0.661354  1
  H  H73  1  0.571763  0.027051  0.679555  1
  H  H74  1  0.571763  0.430192  0.725009  1
  H  H75  1  0.928237  0.825480  0.656828  1
  H  H76  1  0.928237  0.228621  0.702282  1
  H  H77  1  0.071763  0.865628  0.661354  1
  H  H78  1  0.071763  0.268769  0.706809  1
  H  H79  1  0.428237  0.664057  0.638627  1
  H  H80  1  0.428237  0.067199  0.684082  1
