# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27445486
_cell_length_b   26.36623832
_cell_length_c   40.32381817
_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   2418.17175092
_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  1.018335  0.778609  0.489831  1
  H  H2  1  1.018335  0.489969  0.434148  1
  H  H3  1  1.018335  0.141797  0.458157  1
  H  H4  1  0.518335  0.700572  0.485209  1
  H  H5  1  0.518335  0.346160  0.511986  1
  H  H6  1  0.518335  0.062485  0.451869  1
  H  H7  1  1.018335  0.623265  0.481058  1
  H  H8  1  1.018335  0.267943  0.506381  1
  H  H9  1  1.018335  -0.016716  0.446579  1
  H  H10  1  0.518335  0.548759  0.470941  1
  H  H11  1  0.518335  0.189258  0.500318  1
  H  H12  1  0.518335  0.903614  0.441314  1
  H  H13  1  0.518335  0.815812  0.444505  1
  H  H14  1  0.518335  0.461477  0.480019  1
  H  H15  1  0.518335  0.101920  0.502864  1
  H  H16  1  1.018335  0.734967  0.439572  1
  H  H17  1  1.018335  0.387627  0.466488  1
  H  H18  1  1.018335  0.023114  0.496831  1
  H  H19  1  0.518335  0.654027  0.435762  1
  H  H20  1  0.518335  0.308332  0.461518  1
  H  H21  1  0.518335  -0.055583  0.491623  1
  H  H22  1  1.018335  0.511165  0.517310  1
  H  H23  1  1.018335  0.228977  0.455659  1
  H  H24  1  1.018335  0.865471  0.486231  1
  H  H25  1  1.018335  0.703194  0.580090  1
  H  H26  1  1.018335  0.421838  0.521312  1
  H  H27  1  1.018335  0.062606  0.547058  1
  H  H28  1  0.518335  0.625257  0.574431  1
  H  H29  1  0.518335  0.266805  0.600866  1
  H  H30  1  0.518335  -0.015883  0.541251  1
  H  H31  1  1.018335  0.547779  0.568632  1
  H  H32  1  1.018335  0.188833  0.594877  1
  H  H33  1  1.018335  0.905839  0.536166  1
  H  H34  1  0.518335  0.470741  0.561109  1
  H  H35  1  0.518335  0.110536  0.588468  1
  H  H36  1  0.518335  0.827522  0.530777  1
  H  H37  1  0.518335  0.741304  0.534878  1
  H  H38  1  0.518335  0.383139  0.564230  1
  H  H39  1  0.518335  0.023572  0.591608  1
  H  H40  1  1.018335  0.663812  0.530139  1
  H  H41  1  1.018335  0.306422  0.556373  1
  H  H42  1  1.018335  -0.054673  0.586010  1
  H  H43  1  0.518335  0.586361  0.524519  1
  H  H44  1  0.518335  0.228293  0.550606  1
  H  H45  1  0.518335  0.867323  0.581025  1
  H  H46  1  1.018335  0.431075  0.605348  1
  H  H47  1  1.018335  0.149776  0.544243  1
  H  H48  1  1.018335  0.789385  0.575810  1
  H  H49  1  1.018335  0.625149  0.669198  1
  H  H50  1  1.018335  0.344125  0.608055  1
  H  H51  1  1.018335  -0.015419  0.636290  1
  H  H52  1  0.518335  0.546973  0.662896  1
  H  H53  1  0.518335  0.188061  0.689411  1
  H  H54  1  0.518335  0.906526  0.630897  1
  H  H55  1  1.018335  0.469138  0.656751  1
  H  H56  1  1.018335  0.110254  0.683234  1
  H  H57  1  1.018335  0.828713  0.626053  1
  H  H58  1  0.518335  0.391667  0.649754  1
  H  H59  1  0.518335  0.032252  0.677254  1
  H  H60  1  0.518335  0.750836  0.620875  1
  H  H61  1  0.518335  0.664256  0.624731  1
  H  H62  1  0.518335  0.304841  0.652231  1
  H  H63  1  0.518335  -0.054328  0.681110  1
  H  H64  1  1.018335  0.586254  0.618752  1
  H  H65  1  1.018335  0.227369  0.645234  1
  H  H66  1  1.018335  0.867795  0.675933  1
  H  H67  1  0.518335  0.508447  0.612574  1
  H  H68  1  0.518335  0.149535  0.639089  1
  H  H69  1  0.518335  0.789981  0.671088  1
  H  H70  1  1.018335  0.352383  0.693930  1
  H  H71  1  1.018335  0.071359  0.632787  1
  H  H72  1  1.018335  0.711927  0.665696  1
  H  H73  1  1.018335  0.546732  0.757742  1
  H  H74  1  1.018335  0.265433  0.696637  1
  H  H75  1  1.018335  0.907122  0.726175  1
  H  H76  1  0.518335  0.468215  0.751379  1
  H  H77  1  0.518335  0.110147  0.777466  1
  H  H78  1  0.518335  0.829185  0.720960  1
  H  H79  1  1.018335  0.390086  0.745612  1
  H  H80  1  1.018335  0.032696  0.771846  1
  H  H81  1  1.018335  0.751180  0.715975  1
  H  H82  1  0.518335  0.313368  0.737756  1
  H  H83  1  0.518335  -0.044796  0.767107  1
  H  H84  1  0.518335  0.672936  0.710378  1
  H  H85  1  0.518335  0.585972  0.713517  1
  H  H86  1  0.518335  0.225767  0.740876  1
  H  H87  1  0.518335  0.868985  0.771208  1
  H  H88  1  1.018335  0.507675  0.707108  1
  H  H89  1  1.018335  0.148729  0.733354  1
  H  H90  1  1.018335  0.790669  0.765819  1
  H  H91  1  0.518335  0.429703  0.701119  1
  H  H92  1  0.518335  0.071250  0.727554  1
  H  H93  1  0.518335  0.712391  0.760734  1
  H  H94  1  1.018335  0.274669  0.780673  1
  H  H95  1  1.018335  -0.006687  0.721896  1
  H  H96  1  1.018335  0.633902  0.754927  1
  H  H97  1  1.018335  0.467531  0.846326  1
  H  H98  1  1.018335  0.185342  0.784675  1
  H  H99  1  1.018335  0.831036  0.815754  1
  H  H100  1  0.518335  0.388175  0.840467  1
  H  H101  1  0.518335  0.042481  0.866223  1
  H  H102  1  0.518335  0.752091  0.810362  1
  H  H103  1  1.018335  0.308880  0.835497  1
  H  H104  1  1.018335  -0.038459  0.862413  1
  H  H105  1  1.018335  0.673394  0.805154  1
  H  H106  1  0.518335  0.235030  0.821967  1
  H  H107  1  0.518335  0.880696  0.857480  1
  H  H108  1  0.518335  0.594588  0.799122  1
  H  H109  1  0.518335  0.507250  0.801668  1
  H  H110  1  0.518335  0.147749  0.831044  1
  H  H111  1  0.518335  0.792893  0.860671  1
  H  H112  1  1.018335  0.428564  0.795605  1
  H  H113  1  1.018335  0.073243  0.820927  1
  H  H114  1  1.018335  0.713224  0.855406  1
  H  H115  1  0.518335  0.350348  0.789999  1
  H  H116  1  0.518335  -0.004064  0.816776  1
  H  H117  1  0.518335  0.634023  0.850116  1
  H  H118  1  1.018335  0.206539  0.867837  1
  H  H119  1  1.018335  0.917898  0.812154  1
  H  H120  1  1.018335  0.554711  0.843828  1
