# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52438607
_cell_length_b   7.90505760
_cell_length_c   49.22604932
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.97934304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H120
_cell_volume   2529.12428583
_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  0.265175  0.331398  0.278663  1
  H  H2  1  0.614877  0.330186  0.264193  1
  H  H3  1  0.906742  0.324755  0.292729  1
  H  H4  1  0.394133  0.593193  0.268445  1
  H  H5  1  0.762557  0.587751  0.256052  1
  H  H6  1  0.042905  0.583167  0.284759  1
  H  H7  1  0.571700  0.828281  0.278292  1
  H  H8  1  0.921067  0.846616  0.262619  1
  H  H9  1  0.215587  0.826930  0.291383  1
  H  H10  1  0.438920  0.076247  0.257046  1
  H  H11  1  0.736697  0.075649  0.286353  1
  H  H12  1  0.086224  0.093757  0.270614  1
  H  H13  1  0.186268  0.285839  0.323371  1
  H  H14  1  0.547569  0.302177  0.309281  1
  H  H15  1  0.829596  0.264861  0.337631  1
  H  H16  1  0.319594  0.545735  0.313870  1
  H  H17  1  0.673078  0.561911  0.300331  1
  H  H18  1  0.956064  0.526550  0.328944  1
  H  H19  1  0.488266  0.786121  0.322792  1
  H  H20  1  0.851207  0.802958  0.307946  1
  H  H21  1  0.131111  0.765409  0.336361  1
  H  H22  1  0.379551  0.063427  0.302256  1
  H  H23  1  0.661089  0.023863  0.330750  1
  H  H24  1  1.021033  0.043801  0.315601  1
  H  H25  1  0.106481  0.224978  0.367576  1
  H  H26  1  0.466560  0.243620  0.352979  1
  H  H27  1  0.747180  0.204607  0.382010  1
  H  H28  1  0.235571  0.486804  0.358326  1
  H  H29  1  0.594835  0.505703  0.344296  1
  H  H30  1  0.875036  0.466563  0.373322  1
  H  H31  1  0.405459  0.725754  0.366851  1
  H  H32  1  0.767363  0.744726  0.351978  1
  H  H33  1  0.046705  0.705910  0.381064  1
  H  H34  1  0.297205  1.004660  0.345647  1
  H  H35  1  0.577011  0.964460  0.374660  1
  H  H36  1  0.939267  0.983592  0.359707  1
  H  H37  1  1.024848  0.165577  0.411836  1
  H  H38  1  0.385699  0.184584  0.397127  1
  H  H39  1  0.665023  0.145702  0.426422  1
  H  H40  1  0.153864  0.427104  0.402768  1
  H  H41  1  0.513225  0.446211  0.388319  1
  H  H42  1  0.792737  0.407317  0.417625  1
  H  H43  1  0.323745  0.666442  0.411051  1
  H  H44  1  0.684850  0.685613  0.396183  1
  H  H45  1  0.963982  0.646658  0.425493  1
  H  H46  1  0.215459  0.945272  0.389570  1
  H  H47  1  0.494591  0.905779  0.418790  1
  H  H48  1  0.855682  0.925233  0.403898  1
  H  H49  1  0.943022  0.106458  0.456138  1
  H  H50  1  0.303789  0.125824  0.441366  1
  H  H51  1  0.582885  0.086803  0.470756  1
  H  H52  1  0.071540  0.368021  0.447143  1
  H  H53  1  0.431656  0.387470  0.432567  1
  H  H54  1  0.710743  0.348429  0.461952  1
  H  H55  1  0.241655  0.607540  0.455268  1
  H  H56  1  0.602771  0.626933  0.440434  1
  H  H57  1  0.881635  0.587836  0.469794  1
  H  H58  1  0.133118  0.886365  0.433627  1
  H  H59  1  0.412092  0.847149  0.462960  1
  H  H60  1  0.773215  0.866608  0.448123  1
  H  H61  1  0.861001  0.047388  0.500468  1
  H  H62  1  0.221798  0.066980  0.485659  1
  H  H63  1  0.500884  0.027939  0.515043  1
  H  H64  1  0.989518  0.308951  0.491473  1
  H  H65  1  0.349655  0.328606  0.476854  1
  H  H66  1  0.628751  0.289585  0.506244  1
  H  H67  1  0.159325  0.548801  0.499488  1
  H  H68  1  0.520448  0.568260  0.484651  1
  H  H69  1  0.799423  0.529044  0.513983  1
  H  H70  1  0.050905  0.827572  0.477816  1
  H  H71  1  0.329769  0.788476  0.507177  1
  H  H72  1  0.690886  0.807869  0.492343  1
  H  H73  1  0.778676  0.988305  0.544842  1
  H  H74  1  0.139803  0.008092  0.529985  1
  H  H75  1  0.419315  0.969197  0.559291  1
  H  H76  1  0.907692  0.249832  0.535775  1
  H  H77  1  0.267518  0.269707  0.521189  1
  H  H78  1  0.546841  0.230825  0.550484  1
  H  H79  1  0.076859  0.490176  0.543712  1
  H  H80  1  0.437949  0.509629  0.528821  1
  H  H81  1  0.717081  0.470137  0.558040  1
  H  H82  1  0.968559  0.768751  0.522117  1
  H  H83  1  0.247691  0.729796  0.551427  1
  H  H84  1  0.608796  0.748967  0.536560  1
  H  H85  1  0.696970  0.928605  0.589284  1
  H  H86  1  0.057505  0.948846  0.574288  1
  H  H87  1  0.337706  0.909706  0.603315  1
  H  H88  1  0.826060  0.190431  0.580034  1
  H  H89  1  0.185360  0.210802  0.565601  1
  H  H90  1  0.465981  0.171789  0.594631  1
  H  H91  1  0.993274  0.431817  0.587903  1
  H  H92  1  0.355529  0.450949  0.572950  1
  H  H93  1  0.635336  0.410749  0.601963  1
  H  H94  1  0.885835  0.709499  0.566546  1
  H  H95  1  0.165178  0.670683  0.595633  1
  H  H96  1  0.527082  0.689655  0.580760  1
  H  H97  1  0.612947  0.869674  0.633740  1
  H  H98  1  0.976477  0.888859  0.618666  1
  H  H99  1  0.259463  0.853498  0.647279  1
  H  H100  1  0.746272  0.129570  0.624239  1
  H  H101  1  0.102944  0.150548  0.609979  1
  H  H102  1  0.384972  0.113232  0.638329  1
  H  H103  1  0.911507  0.371608  0.632010  1
  H  H104  1  0.271451  0.391546  0.616860  1
  H  H105  1  0.552990  0.351982  0.645355  1
  H  H106  1  0.801429  0.650000  0.611250  1
  H  H107  1  0.081333  0.612451  0.639664  1
  H  H108  1  0.444274  0.629288  0.624818  1
  H  H109  1  0.538407  0.822216  0.679165  1
  H  H110  1  0.889635  0.832242  0.662851  1
  H  H111  1  0.169984  0.827658  0.691558  1
  H  H112  1  0.667366  0.084011  0.668947  1
  H  H113  1  1.025798  0.090654  0.654881  1
  H  H114  1  0.317664  0.085223  0.683417  1
  H  H115  1  0.846316  0.321652  0.676996  1
  H  H116  1  0.195843  0.339760  0.661258  1
  H  H117  1  0.493621  0.339162  0.690565  1
  H  H118  1  0.716954  0.588479  0.656227  1
  H  H119  1  1.011473  0.568793  0.684991  1
  H  H120  1  0.360840  0.587127  0.669319  1
