# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77112788
_cell_length_b   15.19696005
_cell_length_c   50.46907433
_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   H144
_cell_volume   2892.3664851
_cell_formula_units_Z   72
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  1.001178  0.866992  0.237011  1
  H  H2  1  1.000044  0.338758  0.262409  1
  H  H3  1  0.999613  -0.033697  0.270343  1
  H  H4  1  0.996100  0.480395  0.243371  1
  H  H5  1  0.932063  0.101693  0.248624  1
  H  H6  1  0.925909  0.585241  0.276118  1
  H  H7  1  0.923484  0.205142  0.281944  1
  H  H8  1  0.928532  0.719707  0.254566  1
  H  H9  1  0.500044  0.838758  0.262409  1
  H  H10  1  0.501178  0.366992  0.237011  1
  H  H11  1  0.496100  -0.019605  0.243371  1
  H  H12  1  0.499613  0.466303  0.270343  1
  H  H13  1  0.425909  0.085241  0.276118  1
  H  H14  1  0.432063  0.601693  0.248624  1
  H  H15  1  0.428532  0.219707  0.254566  1
  H  H16  1  0.423484  0.705142  0.281944  1
  H  H17  1  1.001716  0.827193  0.287698  1
  H  H18  1  1.003516  0.313288  0.312943  1
  H  H19  1  1.004413  0.934938  0.319215  1
  H  H20  1  1.002754  0.447790  0.294191  1
  H  H21  1  0.920791  0.071314  0.301153  1
  H  H22  1  0.919641  0.556264  0.325553  1
  H  H23  1  0.919722  0.178730  0.331992  1
  H  H24  1  0.921176  0.692652  0.306988  1
  H  H25  1  0.503516  0.813288  0.312943  1
  H  H26  1  0.501716  0.327193  0.287698  1
  H  H27  1  0.502754  0.947790  0.294191  1
  H  H28  1  0.504413  0.434938  0.319215  1
  H  H29  1  0.419641  0.056264  0.325553  1
  H  H30  1  0.420791  0.571314  0.301153  1
  H  H31  1  0.421176  0.192652  0.306988  1
  H  H32  1  0.419722  0.678730  0.331992  1
  H  H33  1  1.005133  0.800008  0.337959  1
  H  H34  1  1.006258  0.286201  0.362964  1
  H  H35  1  1.006278  0.907636  0.369200  1
  H  H36  1  1.005589  0.421273  0.344130  1
  H  H37  1  0.918965  0.042790  0.350474  1
  H  H38  1  0.918637  0.528981  0.375429  1
  H  H39  1  0.918651  0.150716  0.381665  1
  H  H40  1  0.918983  0.664425  0.356691  1
  H  H41  1  0.506258  0.786201  0.362964  1
  H  H42  1  0.505133  0.300008  0.337959  1
  H  H43  1  0.505589  0.921273  0.344130  1
  H  H44  1  0.506278  0.407636  0.369200  1
  H  H45  1  0.418637  0.028981  0.375429  1
  H  H46  1  0.418965  0.542790  0.350474  1
  H  H47  1  0.418983  0.164425  0.356691  1
  H  H48  1  0.418651  0.650716  0.381665  1
  H  H49  1  1.006642  0.772116  0.387872  1
  H  H50  1  1.006876  0.258390  0.412845  1
  H  H51  1  1.006940  0.879975  0.419078  1
  H  H52  1  1.006710  0.393858  0.394145  1
  H  H53  1  0.918328  0.015295  0.400414  1
  H  H54  1  0.918148  0.501474  0.425348  1
  H  H55  1  0.918246  0.123146  0.431580  1
  H  H56  1  0.918381  0.636878  0.406614  1
  H  H57  1  0.506876  0.758390  0.412845  1
  H  H58  1  0.506642  0.272116  0.387872  1
  H  H59  1  0.506710  0.893858  0.394145  1
  H  H60  1  0.506940  0.379975  0.419078  1
  H  H61  1  0.418148  0.001474  0.425348  1
  H  H62  1  0.418328  0.515295  0.400414  1
  H  H63  1  0.418381  0.136878  0.406614  1
  H  H64  1  0.418246  0.623146  0.431580  1
  H  H65  1  1.006969  0.744573  0.437800  1
  H  H66  1  1.007022  0.230807  0.462756  1
  H  H67  1  1.007089  0.852442  0.468985  1
  H  H68  1  1.007049  0.366226  0.444032  1
  H  H69  1  0.918122  -0.012319  0.450289  1
  H  H70  1  0.918162  0.473897  0.475242  1
  H  H71  1  0.918242  0.095550  0.481474  1
  H  H72  1  0.918190  0.609317  0.456518  1
  H  H73  1  0.507022  0.730807  0.462756  1
  H  H74  1  0.506969  0.244573  0.437800  1
  H  H75  1  0.507049  0.866226  0.444032  1
  H  H76  1  0.507089  0.352442  0.468985  1
  H  H77  1  0.418162  -0.026103  0.475242  1
  H  H78  1  0.418122  0.487681  0.450289  1
  H  H79  1  0.418190  0.109317  0.456518  1
  H  H80  1  0.418242  0.595550  0.481474  1
  H  H81  1  1.006966  0.716978  0.487694  1
  H  H82  1  1.006830  0.203245  0.512660  1
  H  H83  1  1.006884  0.824829  0.518860  1
  H  H84  1  1.007063  0.338649  0.493926  1
  H  H85  1  0.918272  -0.039852  0.500196  1
  H  H86  1  0.918501  0.446266  0.525129  1
  H  H87  1  0.918570  0.068008  0.531402  1
  H  H88  1  0.918336  0.581734  0.506429  1
  H  H89  1  0.506830  0.703245  0.512660  1
  H  H90  1  0.506966  0.216978  0.487694  1
  H  H91  1  0.507063  0.838649  0.493926  1
  H  H92  1  0.506884  0.324829  0.518860  1
  H  H93  1  0.418501  0.946266  0.525129  1
  H  H94  1  0.418272  0.460148  0.500196  1
  H  H95  1  0.418336  0.081734  0.506429  1
  H  H96  1  0.418570  0.568008  0.531402  1
  H  H97  1  1.006560  0.689408  0.537609  1
  H  H98  1  1.006229  0.175699  0.562583  1
  H  H99  1  1.006247  0.797333  0.568800  1
  H  H100  1  1.006574  0.311143  0.543845  1
  H  H101  1  0.918934  0.932488  0.550074  1
  H  H102  1  0.919623  0.418850  0.575144  1
  H  H103  1  0.920079  0.040115  0.581316  1
  H  H104  1  0.918953  0.553922  0.556310  1
  H  H105  1  0.506229  0.675699  0.562583  1
  H  H106  1  0.506560  0.189408  0.537609  1
  H  H107  1  0.506574  0.811143  0.543845  1
  H  H108  1  0.506247  0.297333  0.568800  1
  H  H109  1  0.419623  0.918850  0.575144  1
  H  H110  1  0.418934  0.432488  0.550074  1
  H  H111  1  0.418953  0.053922  0.556310  1
  H  H112  1  0.420079  0.540115  0.581316  1
  H  H113  1  1.005489  0.661394  0.587282  1
  H  H114  1  1.004035  0.147472  0.612286  1
  H  H115  1  1.004420  0.768809  0.618121  1
  H  H116  1  1.005571  0.283859  0.593721  1
  H  H117  1  0.920798  0.905186  0.600059  1
  H  H118  1  0.922457  0.392333  0.625083  1
  H  H119  1  0.923496  0.012930  0.631576  1
  H  H120  1  0.921696  0.526835  0.606331  1
  H  H121  1  0.504035  0.647472  0.612286  1
  H  H122  1  0.505489  0.161394  0.587282  1
  H  H123  1  0.505571  0.783859  0.593721  1
  H  H124  1  0.504420  0.268809  0.618121  1
  H  H125  1  0.422457  0.892333  0.625083  1
  H  H126  1  0.420798  0.405186  0.600059  1
  H  H127  1  0.421696  0.026835  0.606331  1
  H  H128  1  0.423496  0.512930  0.631576  1
  H  H129  1  1.001728  0.634982  0.637330  1
  H  H130  1  0.996679  0.120416  0.664708  1
  H  H131  1  0.993149  0.738430  0.670650  1
  H  H132  1  0.999303  0.254883  0.643156  1
  H  H133  1  0.925599  0.873821  0.648931  1
  H  H134  1  0.929111  0.359728  0.675903  1
  H  H135  1  0.924034  -0.026869  0.682263  1
  H  H136  1  0.925167  0.501366  0.656865  1
  H  H137  1  0.496679  0.620416  0.664708  1
  H  H138  1  0.501728  0.134982  0.637330  1
  H  H139  1  0.499303  0.754883  0.643156  1
  H  H140  1  0.493149  0.238430  0.670650  1
  H  H141  1  0.429111  0.859728  0.675903  1
  H  H142  1  0.425599  0.373821  0.648931  1
  H  H143  1  0.425167  0.001366  0.656865  1
  H  H144  1  0.424034  0.473131  0.682263  1
