# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77284487
_cell_length_b   16.84377314
_cell_length_c   50.14558835
_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   H160
_cell_volume   3186.69914451
_cell_formula_units_Z   80
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  0.993401  0.040466  0.262109  1
  H  H2  1  0.994086  0.591415  0.239391  1
  H  H3  1  0.986615  0.176225  0.256763  1
  H  H4  1  0.968623  0.732611  0.234095  1
  H  H5  1  0.936494  0.313442  0.251155  1
  H  H6  1  0.925382  0.774395  0.276276  1
  H  H7  1  0.941411  0.452004  0.244887  1
  H  H8  1  0.934500  0.904620  0.267129  1
  H  H9  1  0.494086  0.091415  0.239391  1
  H  H10  1  0.493401  0.540466  0.262109  1
  H  H11  1  0.468623  0.232611  0.234095  1
  H  H12  1  0.486615  0.676225  0.256763  1
  H  H13  1  0.425382  0.274395  0.276276  1
  H  H14  1  0.436494  0.813442  0.251155  1
  H  H15  1  0.434500  0.404620  0.267129  1
  H  H16  1  0.441411  0.952004  0.244887  1
  H  H17  1  1.002220  -0.028168  0.307809  1
  H  H18  1  1.000864  0.508196  0.286017  1
  H  H19  1  1.000818  0.105315  0.302536  1
  H  H20  1  0.995076  0.641996  0.280893  1
  H  H21  1  0.921811  0.239097  0.297453  1
  H  H22  1  0.917391  0.706634  0.320420  1
  H  H23  1  0.927855  0.374064  0.291710  1
  H  H24  1  0.922837  0.840524  0.314827  1
  H  H25  1  0.500864  0.008196  0.286017  1
  H  H26  1  0.502220  0.471832  0.307809  1
  H  H27  1  0.495076  0.141996  0.280893  1
  H  H28  1  0.500818  0.605315  0.302536  1
  H  H29  1  0.417391  0.206634  0.320420  1
  H  H30  1  0.421811  0.739097  0.297453  1
  H  H31  1  0.422837  0.340524  0.314827  1
  H  H32  1  0.427855  0.874064  0.291710  1
  H  H33  1  1.007108  0.905942  0.354077  1
  H  H34  1  1.004838  0.439804  0.331239  1
  H  H35  1  1.005643  0.038568  0.347883  1
  H  H36  1  1.003475  0.573325  0.325644  1
  H  H37  1  0.916539  0.171812  0.342477  1
  H  H38  1  0.915411  0.638762  0.365399  1
  H  H39  1  0.919948  0.305801  0.336961  1
  H  H40  1  0.918418  0.772600  0.359804  1
  H  H41  1  0.504838  0.939804  0.331239  1
  H  H42  1  0.507108  0.405942  0.354077  1
  H  H43  1  0.503475  0.073325  0.325644  1
  H  H44  1  0.505643  0.538568  0.347883  1
  H  H45  1  0.415411  0.138762  0.365399  1
  H  H46  1  0.416539  0.671812  0.342477  1
  H  H47  1  0.418418  0.272600  0.359804  1
  H  H48  1  0.419948  0.805801  0.336961  1
  H  H49  1  1.008656  0.838158  0.399393  1
  H  H50  1  1.007829  0.371711  0.376644  1
  H  H51  1  1.007838  -0.028366  0.393687  1
  H  H52  1  1.006836  0.505427  0.370964  1
  H  H53  1  0.915717  0.104513  0.387885  1
  H  H54  1  0.915559  0.571175  0.410728  1
  H  H55  1  0.917124  0.238088  0.382251  1
  H  H56  1  0.916652  0.704759  0.405058  1
  H  H57  1  0.507829  0.871711  0.376644  1
  H  H58  1  0.508656  0.338158  0.399393  1
  H  H59  1  0.506836  0.005427  0.370964  1
  H  H60  1  0.507838  0.471634  0.393687  1
  H  H61  1  0.415559  0.071175  0.410728  1
  H  H62  1  0.415717  0.604513  0.387885  1
  H  H63  1  0.416652  0.204759  0.405058  1
  H  H64  1  0.417124  0.738088  0.382251  1
  H  H65  1  1.008818  0.770576  0.444732  1
  H  H66  1  1.008684  0.304136  0.421990  1
  H  H67  1  1.008785  0.904113  0.439045  1
  H  H68  1  1.008424  0.437776  0.416347  1
  H  H69  1  0.915499  0.037346  0.433386  1
  H  H70  1  0.915587  0.503683  0.456090  1
  H  H71  1  0.916175  0.170758  0.427639  1
  H  H72  1  0.916002  0.637272  0.450420  1
  H  H73  1  0.508684  0.804136  0.421990  1
  H  H74  1  0.508818  0.270576  0.444732  1
  H  H75  1  0.508424  0.937776  0.416347  1
  H  H76  1  0.508785  0.404113  0.439045  1
  H  H77  1  0.415587  0.003683  0.456090  1
  H  H78  1  0.415499  0.537346  0.433386  1
  H  H79  1  0.416002  0.137272  0.450420  1
  H  H80  1  0.416175  0.670758  0.427639  1
  H  H81  1  1.008388  0.703209  0.490151  1
  H  H82  1  1.008561  0.236695  0.467370  1
  H  H83  1  1.009064  0.836621  0.484404  1
  H  H84  1  1.008976  0.370284  0.461700  1
  H  H85  1  0.915778  -0.030146  0.478745  1
  H  H86  1  0.916139  0.436191  0.501443  1
  H  H87  1  0.915745  0.103391  0.473058  1
  H  H88  1  0.915879  0.569831  0.495800  1
  H  H89  1  0.508561  0.736695  0.467370  1
  H  H90  1  0.508388  0.203209  0.490151  1
  H  H91  1  0.508976  0.870284  0.461700  1
  H  H92  1  0.509064  0.336621  0.484404  1
  H  H93  1  0.416139  0.936191  0.501443  1
  H  H94  1  0.415778  0.469854  0.478745  1
  H  H95  1  0.415879  0.069831  0.495800  1
  H  H96  1  0.415745  0.603391  0.473058  1
  H  H97  1  1.007439  0.635879  0.535539  1
  H  H98  1  1.007911  0.169208  0.512732  1
  H  H99  1  1.008846  0.769454  0.529905  1
  H  H100  1  1.009004  0.302792  0.507062  1
  H  H101  1  0.916725  0.902333  0.524103  1
  H  H102  1  0.917727  0.368541  0.546825  1
  H  H103  1  0.915907  0.035809  0.518397  1
  H  H104  1  0.916734  0.502256  0.541146  1
  H  H105  1  0.507911  0.669208  0.512732  1
  H  H106  1  0.507439  0.135879  0.535539  1
  H  H107  1  0.509004  0.802792  0.507062  1
  H  H108  1  0.508846  0.269454  0.529905  1
  H  H109  1  0.417727  0.868541  0.546825  1
  H  H110  1  0.416725  0.402333  0.524103  1
  H  H111  1  0.416734  0.002256  0.541146  1
  H  H112  1  0.415907  0.535809  0.518397  1
  H  H113  1  1.004615  0.568166  0.580829  1
  H  H114  1  1.006145  0.101367  0.557986  1
  H  H115  1  1.008024  0.702155  0.575312  1
  H  H116  1  1.009152  0.235205  0.552391  1
  H  H117  1  0.918920  0.835399  0.569907  1
  H  H118  1  0.921088  0.300642  0.592145  1
  H  H119  1  0.917455  -0.031975  0.563713  1
  H  H120  1  0.919725  0.434163  0.586551  1
  H  H121  1  0.506145  0.601367  0.557986  1
  H  H122  1  0.504615  0.068166  0.580829  1
  H  H123  1  0.509152  0.735205  0.552391  1
  H  H124  1  0.508024  0.202155  0.575312  1
  H  H125  1  0.421088  0.800642  0.592145  1
  H  H126  1  0.418920  0.335399  0.569907  1
  H  H127  1  0.419725  0.934163  0.586551  1
  H  H128  1  0.417455  0.468025  0.563713  1
  H  H129  1  0.996708  0.499903  0.626080  1
  H  H130  1  1.001726  0.033443  0.602963  1
  H  H131  1  1.002752  0.634870  0.620337  1
  H  H132  1  1.007172  0.167333  0.597370  1
  H  H133  1  0.923745  0.768652  0.615253  1
  H  H134  1  0.929487  0.231972  0.636897  1
  H  H135  1  0.922343  0.902135  0.609981  1
  H  H136  1  0.923699  0.365771  0.631773  1
  H  H137  1  0.501726  0.533443  0.602963  1
  H  H138  1  0.496708  -0.000097  0.626080  1
  H  H139  1  0.507172  0.667333  0.597370  1
  H  H140  1  0.502752  0.134870  0.620337  1
  H  H141  1  0.429487  0.731972  0.636897  1
  H  H142  1  0.423745  0.268652  0.615253  1
  H  H143  1  0.423699  0.865771  0.631773  1
  H  H144  1  0.422343  0.402135  0.609981  1
  H  H145  1  0.983152  0.421963  0.672902  1
  H  H146  1  0.990063  -0.030653  0.650661  1
  H  H147  1  0.988069  0.560525  0.666635  1
  H  H148  1  0.999181  0.099572  0.641513  1
  H  H149  1  0.937948  0.697742  0.661027  1
  H  H150  1  0.955940  0.141356  0.683695  1
  H  H151  1  0.931162  0.833501  0.655681  1
  H  H152  1  0.930477  0.282552  0.678399  1
  H  H153  1  0.490063  0.469347  0.650661  1
  H  H154  1  0.483152  0.921963  0.672902  1
  H  H155  1  0.499181  0.599572  0.641513  1
  H  H156  1  0.488069  0.060525  0.666635  1
  H  H157  1  0.455940  0.641356  0.683695  1
  H  H158  1  0.437948  0.197742  0.661027  1
  H  H159  1  0.430477  0.782552  0.678399  1
  H  H160  1  0.431162  0.333501  0.655681  1
