# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42256060
_cell_length_b   13.17831467
_cell_length_c   48.27272924
_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   H84
_cell_volume   2177.27293243
_cell_formula_units_Z   42
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  0.303489  0.272635  1
  H  H2  1  0.500000  0.101138  0.317080  1
  H  H3  1  0.500000  0.702313  0.294858  1
  H  H4  1  0.500000  0.464783  0.327365  1
  H  H5  1  0.500000  0.065958  0.305142  1
  H  H6  1  0.500000  0.667133  0.282920  1
  H  H7  1  1.000000  0.502901  0.283746  1
  H  H8  1  1.000000  0.300551  0.328191  1
  H  H9  1  1.000000  0.901726  0.305969  1
  H  H10  1  1.000000  0.467721  0.271809  1
  H  H11  1  1.000000  0.265370  0.316254  1
  H  H12  1  1.000000  0.866545  0.294031  1
  H  H13  1  0.500000  0.499963  0.339302  1
  H  H14  1  0.500000  0.297613  0.383746  1
  H  H15  1  0.500000  0.898788  0.361524  1
  H  H16  1  0.500000  0.661257  0.394031  1
  H  H17  1  0.500000  0.262432  0.371809  1
  H  H18  1  0.500000  0.863608  0.349587  1
  H  H19  1  1.000000  0.699376  0.350413  1
  H  H20  1  1.000000  0.497025  0.394858  1
  H  H21  1  1.000000  0.098200  0.372635  1
  H  H22  1  1.000000  0.664195  0.338476  1
  H  H23  1  1.000000  0.461845  0.382920  1
  H  H24  1  1.000000  0.063020  0.360698  1
  H  H25  1  0.500000  0.696438  0.405969  1
  H  H26  1  0.500000  0.494087  0.450413  1
  H  H27  1  0.500000  0.095263  0.428191  1
  H  H28  1  0.500000  0.857732  0.460698  1
  H  H29  1  0.500000  0.458907  0.438476  1
  H  H30  1  0.500000  0.060082  0.416254  1
  H  H31  1  1.000000  0.895850  0.417080  1
  H  H32  1  1.000000  0.693500  0.461524  1
  H  H33  1  1.000000  0.294675  0.439302  1
  H  H34  1  1.000000  0.860670  0.405142  1
  H  H35  1  1.000000  0.658319  0.449587  1
  H  H36  1  1.000000  0.259495  0.427365  1
  H  H37  1  0.500000  0.892912  0.472635  1
  H  H38  1  0.500000  0.690562  0.517080  1
  H  H39  1  0.500000  0.291737  0.494858  1
  H  H40  1  0.500000  0.054206  0.527365  1
  H  H41  1  0.500000  0.655382  0.505142  1
  H  H42  1  0.500000  0.256557  0.482920  1
  H  H43  1  1.000000  0.092325  0.483746  1
  H  H44  1  1.000000  0.889974  0.528191  1
  H  H45  1  1.000000  0.491150  0.505969  1
  H  H46  1  1.000000  0.057144  0.471809  1
  H  H47  1  1.000000  0.854794  0.516254  1
  H  H48  1  1.000000  0.455969  0.494031  1
  H  H49  1  0.500000  0.089387  0.539302  1
  H  H50  1  0.500000  0.887037  0.583746  1
  H  H51  1  0.500000  0.488212  0.561524  1
  H  H52  1  0.500000  0.250681  0.594031  1
  H  H53  1  0.500000  0.851856  0.571809  1
  H  H54  1  0.500000  0.453031  0.549587  1
  H  H55  1  1.000000  0.288799  0.550413  1
  H  H56  1  1.000000  0.086449  0.594858  1
  H  H57  1  1.000000  0.687624  0.572635  1
  H  H58  1  1.000000  0.253619  0.538476  1
  H  H59  1  1.000000  0.051269  0.582920  1
  H  H60  1  1.000000  0.652444  0.560698  1
  H  H61  1  0.500000  0.285862  0.605969  1
  H  H62  1  0.500000  0.083511  0.650413  1
  H  H63  1  0.500000  0.684686  0.628191  1
  H  H64  1  0.500000  0.447156  0.660698  1
  H  H65  1  0.500000  0.048331  0.638476  1
  H  H66  1  0.500000  0.649506  0.616254  1
  H  H67  1  1.000000  0.485274  0.617080  1
  H  H68  1  1.000000  0.282924  0.661524  1
  H  H69  1  1.000000  0.884099  0.639302  1
  H  H70  1  1.000000  0.450093  0.605142  1
  H  H71  1  1.000000  0.247743  0.649587  1
  H  H72  1  1.000000  0.848918  0.627365  1
  H  H73  1  0.500000  0.482336  0.672635  1
  H  H74  1  0.500000  0.279986  0.717080  1
  H  H75  1  0.500000  0.881161  0.694858  1
  H  H76  1  0.500000  0.643630  0.727365  1
  H  H77  1  0.500000  0.244805  0.705142  1
  H  H78  1  0.500000  0.845980  0.682920  1
  H  H79  1  1.000000  0.681749  0.683746  1
  H  H80  1  1.000000  0.479398  0.728191  1
  H  H81  1  1.000000  0.080573  0.705969  1
  H  H82  1  1.000000  0.646568  0.671809  1
  H  H83  1  1.000000  0.444218  0.716254  1
  H  H84  1  1.000000  0.045393  0.694031  1
