# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59097593
_cell_length_b   8.95635462
_cell_length_c   36.00082915
_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   H120
_cell_volume   2447.60537537
_cell_formula_units_Z   60
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  0.814841  0.305581  0.450514  1
  H  H2  1  0.757003  0.799722  0.512129  1
  H  H3  1  0.751240  0.055313  0.460441  1
  H  H4  1  0.514202  0.660661  0.494970  1
  H  H5  1  0.521441  0.909592  0.481365  1
  H  H6  1  0.532998  0.231389  0.433489  1
  H  H7  1  0.251240  0.305313  0.460441  1
  H  H8  1  0.314841  0.555581  0.450514  1
  H  H9  1  0.257003  0.049722  0.512129  1
  H  H10  1  0.032998  0.481389  0.433489  1
  H  H11  1  0.014202  0.910661  0.494970  1
  H  H12  1  0.021441  0.159592  0.481365  1
  H  H13  1  0.751240  0.555313  0.460441  1
  H  H14  1  0.814841  0.805581  0.450514  1
  H  H15  1  0.757003  0.299722  0.512129  1
  H  H16  1  0.521441  0.409592  0.481365  1
  H  H17  1  0.532998  0.731389  0.433489  1
  H  H18  1  0.514202  0.160661  0.494970  1
  H  H19  1  0.257003  0.549722  0.512129  1
  H  H20  1  0.251240  0.805313  0.460441  1
  H  H21  1  0.314841  0.055581  0.450514  1
  H  H22  1  0.014202  0.410661  0.494970  1
  H  H23  1  0.021441  0.659592  0.481365  1
  H  H24  1  0.032998  0.981389  0.433489  1
  H  H25  1  0.784015  0.552168  0.522930  1
  H  H26  1  0.810022  0.121037  0.584231  1
  H  H27  1  0.780069  0.370596  0.572653  1
  H  H28  1  0.543034  0.028531  0.603293  1
  H  H29  1  0.547500  0.214003  0.555273  1
  H  H30  1  0.516694  0.462401  0.542342  1
  H  H31  1  0.280069  0.620596  0.572653  1
  H  H32  1  0.284015  0.802168  0.522930  1
  H  H33  1  0.310022  0.371037  0.584231  1
  H  H34  1  0.016694  0.712401  0.542342  1
  H  H35  1  0.043034  0.278531  0.603293  1
  H  H36  1  0.047500  0.464003  0.555273  1
  H  H37  1  0.780069  0.870596  0.572653  1
  H  H38  1  0.784015  0.052168  0.522930  1
  H  H39  1  0.810022  0.621037  0.584231  1
  H  H40  1  0.547500  0.714003  0.555273  1
  H  H41  1  0.516694  0.962401  0.542342  1
  H  H42  1  0.543034  0.528531  0.603293  1
  H  H43  1  0.310022  0.871037  0.584231  1
  H  H44  1  0.280069  0.120596  0.572653  1
  H  H45  1  0.284015  0.302168  0.522930  1
  H  H46  1  0.043034  0.778531  0.603293  1
  H  H47  1  0.047500  0.964003  0.555273  1
  H  H48  1  0.016694  0.212401  0.542342  1
  H  H49  1  0.805613  0.936374  0.633342  1
  H  H50  1  0.830671  0.501982  0.693971  1
  H  H51  1  0.835128  0.687195  0.645370  1
  H  H52  1  0.597707  0.345301  0.676301  1
  H  H53  1  0.568193  0.594481  0.664273  1
  H  H54  1  0.572649  0.779693  0.615673  1
  H  H55  1  0.335128  0.937195  0.645370  1
  H  H56  1  0.305613  0.186374  0.633342  1
  H  H57  1  0.330671  0.751982  0.693971  1
  H  H58  1  0.072649  0.029693  0.615673  1
  H  H59  1  0.097707  0.595301  0.676301  1
  H  H60  1  0.068193  0.844481  0.664273  1
  H  H61  1  0.835128  0.187195  0.645370  1
  H  H62  1  0.805613  0.436374  0.633342  1
  H  H63  1  0.830671  0.001982  0.693971  1
  H  H64  1  0.568193  0.094481  0.664273  1
  H  H65  1  0.572649  0.279693  0.615673  1
  H  H66  1  0.597707  0.845301  0.676301  1
  H  H67  1  0.330671  0.251982  0.693971  1
  H  H68  1  0.335128  0.437195  0.645370  1
  H  H69  1  0.305613  0.686374  0.633342  1
  H  H70  1  0.097707  0.095301  0.676301  1
  H  H71  1  0.068193  0.344481  0.664273  1
  H  H72  1  0.072649  0.529693  0.615673  1
  H  H73  1  0.860286  0.253144  0.706350  1
  H  H74  1  0.886626  0.819275  0.767301  1
  H  H75  1  0.855821  0.067673  0.754370  1
  H  H76  1  0.619306  0.729508  0.786713  1
  H  H77  1  0.623252  0.911079  0.736990  1
  H  H78  1  0.593299  0.160638  0.725413  1
  H  H79  1  0.355821  0.317673  0.754370  1
  H  H80  1  0.360286  0.503144  0.706350  1
  H  H81  1  0.386626  0.069275  0.767301  1
  H  H82  1  0.093299  0.410638  0.725413  1
  H  H83  1  0.119306  0.979508  0.786713  1
  H  H84  1  0.123252  0.161079  0.736990  1
  H  H85  1  0.855821  0.567673  0.754370  1
  H  H86  1  0.860286  0.753144  0.706350  1
  H  H87  1  0.886626  0.319275  0.767301  1
  H  H88  1  0.623252  0.411079  0.736990  1
  H  H89  1  0.593299  0.660638  0.725413  1
  H  H90  1  0.619306  0.229508  0.786713  1
  H  H91  1  0.386626  0.569275  0.767301  1
  H  H92  1  0.355821  0.817673  0.754370  1
  H  H93  1  0.360286  0.003144  0.706350  1
  H  H94  1  0.119306  0.479508  0.786713  1
  H  H95  1  0.123252  0.661079  0.736990  1
  H  H96  1  0.093299  0.910638  0.725413  1
  H  H97  1  0.889118  0.621015  0.814673  1
  H  H98  1  0.870323  0.050286  0.876155  1
  H  H99  1  0.881879  0.372083  0.828278  1
  H  H100  1  0.588479  0.976094  0.859130  1
  H  H101  1  0.652081  0.226362  0.849203  1
  H  H102  1  0.646317  0.481953  0.797515  1
  H  H103  1  0.381879  0.622083  0.828278  1
  H  H104  1  0.389118  0.871015  0.814673  1
  H  H105  1  0.370323  0.300286  0.876155  1
  H  H106  1  0.146317  0.731953  0.797515  1
  H  H107  1  0.088479  0.226094  0.859130  1
  H  H108  1  0.152081  0.476362  0.849203  1
  H  H109  1  0.881879  0.872083  0.828278  1
  H  H110  1  0.889118  0.121015  0.814673  1
  H  H111  1  0.870323  0.550286  0.876155  1
  H  H112  1  0.652081  0.726362  0.849203  1
  H  H113  1  0.646317  0.981953  0.797515  1
  H  H114  1  0.588479  0.476094  0.859130  1
  H  H115  1  0.370323  0.800286  0.876155  1
  H  H116  1  0.381879  0.122083  0.828278  1
  H  H117  1  0.389118  0.371015  0.814673  1
  H  H118  1  0.088479  0.726094  0.859130  1
  H  H119  1  0.152081  0.976362  0.849203  1
  H  H120  1  0.146317  0.231953  0.797515  1
