# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14355042
_cell_length_b   7.90270083
_cell_length_c   48.59910056
_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   1591.38917814
_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  0.505796  0.558966  0.275674  1
  H  H2  1  -0.012857  0.519638  0.298680  1
  H  H3  1  0.949718  0.058966  0.275674  1
  H  H4  1  0.468371  1.019638  0.298680  1
  H  H5  1  0.290806  0.288288  0.286875  1
  H  H6  1  0.785285  0.253926  0.309818  1
  H  H7  1  0.164708  0.788288  0.286875  1
  H  H8  1  0.670229  0.753926  0.309818  1
  H  H9  1  0.479331  0.483483  0.321690  1
  H  H10  1  -0.021764  0.442822  0.343869  1
  H  H11  1  0.976183  0.983483  0.321690  1
  H  H12  1  0.477278  0.942822  0.343869  1
  H  H13  1  0.283857  0.213572  0.332734  1
  H  H14  1  0.781091  0.172590  0.354971  1
  H  H15  1  0.171657  0.713572  0.332734  1
  H  H16  1  0.674423  0.672590  0.354971  1
  H  H17  1  0.480349  0.402000  0.366219  1
  H  H18  1  -0.017944  0.361102  0.388633  1
  H  H19  1  0.975165  0.902000  0.366219  1
  H  H20  1  0.473458  0.861102  0.388633  1
  H  H21  1  0.277795  0.130520  0.377369  1
  H  H22  1  0.768471  0.088827  0.399959  1
  H  H23  1  0.177719  0.630520  0.377369  1
  H  H24  1  0.687043  0.588827  0.399959  1
  H  H25  1  0.475515  0.318360  0.410865  1
  H  H26  1  0.955174  0.299173  0.433761  1
  H  H27  1  -0.020001  0.818360  0.410865  1
  H  H28  1  0.500340  0.799173  0.433761  1
  H  H29  1  0.234763  0.057114  0.423400  1
  H  H30  1  0.687583  0.059342  0.446843  1
  H  H31  1  0.220751  0.557114  0.423400  1
  H  H32  1  0.767931  0.559342  0.446843  1
  H  H33  1  0.427677  0.320163  0.456698  1
  H  H34  1  0.896739  0.352666  0.479809  1
  H  H35  1  0.027837  0.820163  0.456698  1
  H  H36  1  0.558775  0.852666  0.479809  1
  H  H37  1  0.139700  0.090065  0.470565  1
  H  H38  1  0.599507  0.125308  0.493676  1
  H  H39  1  0.315814  0.590065  0.470565  1
  H  H40  1  0.856007  0.625308  0.493676  1
  H  H41  1  0.356007  0.382962  0.503406  1
  H  H42  1  0.815814  0.418205  0.526517  1
  H  H43  1  0.099507  0.882962  0.503406  1
  H  H44  1  0.639700  0.918205  0.526517  1
  H  H45  1  0.058775  0.155605  0.517272  1
  H  H46  1  0.527837  0.188107  0.540384  1
  H  H47  1  0.396739  0.655605  0.517272  1
  H  H48  1  0.927677  0.688107  0.540384  1
  H  H49  1  0.267931  0.448928  0.550239  1
  H  H50  1  0.720751  0.451157  0.573681  1
  H  H51  1  0.187583  0.948928  0.550239  1
  H  H52  1  0.734763  0.951157  0.573681  1
  H  H53  1  0.000340  0.209097  0.563321  1
  H  H54  1  0.479999  0.189911  0.586217  1
  H  H55  1  0.455174  0.709097  0.563321  1
  H  H56  1  0.975515  0.689911  0.586217  1
  H  H57  1  0.187043  0.419443  0.597123  1
  H  H58  1  0.677719  0.377750  0.619713  1
  H  H59  1  0.268471  0.919443  0.597123  1
  H  H60  1  0.777795  0.877750  0.619713  1
  H  H61  1  0.973458  0.147168  0.608449  1
  H  H62  1  0.475165  0.106270  0.630863  1
  H  H63  1  0.482056  0.647168  0.608449  1
  H  H64  1  -0.019651  0.606270  0.630863  1
  H  H65  1  0.174423  0.335680  0.642110  1
  H  H66  1  0.671657  0.294698  0.664348  1
  H  H67  1  0.281091  0.835680  0.642110  1
  H  H68  1  0.783857  0.794698  0.664348  1
  H  H69  1  0.977278  0.065448  0.653213  1
  H  H70  1  0.476183  1.024787  0.675392  1
  H  H71  1  0.478236  0.565448  0.653213  1
  H  H72  1  -0.020669  0.524787  0.675392  1
  H  H73  1  0.170229  0.254344  0.687264  1
  H  H74  1  0.664708  0.219982  0.710207  1
  H  H75  1  0.285285  0.754344  0.687264  1
  H  H76  1  0.790806  0.719982  0.710207  1
  H  H77  1  0.968371  0.988632  0.698402  1
  H  H78  1  0.449718  0.949304  0.721408  1
  H  H79  1  0.487143  0.488632  0.698402  1
  H  H80  1  0.005796  0.449304  0.721408  1
