# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78225264
_cell_length_b   16.87201449
_cell_length_c   50.17416020
_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   3201.82496847
_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  0.994508  0.039358  0.262637  1
  H  H2  1  0.995130  0.590152  0.239930  1
  H  H3  1  0.987147  0.175058  0.257283  1
  H  H4  1  0.968706  0.731317  0.234640  1
  H  H5  1  0.935413  0.312254  0.251685  1
  H  H6  1  0.923921  0.773393  0.276811  1
  H  H7  1  0.940811  0.450796  0.245427  1
  H  H8  1  0.933819  0.903542  0.267640  1
  H  H9  1  0.495130  0.090152  0.239930  1
  H  H10  1  0.494508  0.539358  0.262637  1
  H  H11  1  0.468706  0.231317  0.234640  1
  H  H12  1  0.487147  0.675058  0.257283  1
  H  H13  1  0.423921  0.273393  0.276811  1
  H  H14  1  0.435413  0.812254  0.251685  1
  H  H15  1  0.433819  0.403542  0.267640  1
  H  H16  1  0.440811  0.950796  0.245427  1
  H  H17  1  1.003606  -0.029018  0.308326  1
  H  H18  1  1.002208  0.507257  0.286539  1
  H  H19  1  1.001679  0.104462  0.303059  1
  H  H20  1  0.995810  0.641042  0.281418  1
  H  H21  1  0.920330  0.238207  0.297973  1
  H  H22  1  0.915826  0.705835  0.320948  1
  H  H23  1  0.927023  0.373160  0.292229  1
  H  H24  1  0.921839  0.839725  0.315352  1
  H  H25  1  0.502208  0.007257  0.286539  1
  H  H26  1  0.503606  0.470982  0.308326  1
  H  H27  1  0.495810  0.141042  0.281418  1
  H  H28  1  0.501679  0.604462  0.303059  1
  H  H29  1  0.415826  0.205835  0.320948  1
  H  H30  1  0.420330  0.738207  0.297973  1
  H  H31  1  0.421839  0.339725  0.315352  1
  H  H32  1  0.427023  0.873160  0.292229  1
  H  H33  1  1.008580  0.905293  0.354600  1
  H  H34  1  1.006260  0.439067  0.331760  1
  H  H35  1  1.006765  0.037901  0.348403  1
  H  H36  1  1.004469  0.572569  0.326168  1
  H  H37  1  0.914997  0.171118  0.343005  1
  H  H38  1  0.913867  0.638159  0.365925  1
  H  H39  1  0.918865  0.305092  0.337483  1
  H  H40  1  0.917253  0.771987  0.360330  1
  H  H41  1  0.506260  0.939067  0.331760  1
  H  H42  1  0.508580  0.405293  0.354600  1
  H  H43  1  0.504469  0.072569  0.326168  1
  H  H44  1  0.506765  0.537901  0.348403  1
  H  H45  1  0.413867  0.138159  0.365925  1
  H  H46  1  0.414997  0.671118  0.343005  1
  H  H47  1  0.417253  0.271987  0.360330  1
  H  H48  1  0.418865  0.805092  0.337483  1
  H  H49  1  1.010106  0.837714  0.399916  1
  H  H50  1  1.009284  0.371170  0.377167  1
  H  H51  1  1.009107  -0.028824  0.394209  1
  H  H52  1  1.008037  0.504865  0.371487  1
  H  H53  1  0.914212  0.104018  0.388409  1
  H  H54  1  0.914089  0.570781  0.411252  1
  H  H55  1  0.915891  0.237581  0.382776  1
  H  H56  1  0.915364  0.704349  0.405581  1
  H  H57  1  0.509284  0.871170  0.377167  1
  H  H58  1  0.510106  0.337714  0.399916  1
  H  H59  1  0.508037  0.004865  0.371487  1
  H  H60  1  0.509107  0.471176  0.394209  1
  H  H61  1  0.414089  0.070781  0.411252  1
  H  H62  1  0.414212  0.604018  0.388409  1
  H  H63  1  0.415364  0.204349  0.405581  1
  H  H64  1  0.415891  0.737581  0.382776  1
  H  H65  1  1.010215  0.770331  0.445255  1
  H  H66  1  1.010105  0.303794  0.422514  1
  H  H67  1  1.010141  0.903854  0.439567  1
  H  H68  1  1.009737  0.437417  0.416869  1
  H  H69  1  0.914062  0.037051  0.433910  1
  H  H70  1  0.914187  0.503489  0.456613  1
  H  H71  1  0.914839  0.170449  0.428162  1
  H  H72  1  0.914631  0.637062  0.450942  1
  H  H73  1  0.510105  0.803794  0.422514  1
  H  H74  1  0.510215  0.270331  0.445255  1
  H  H75  1  0.509737  0.937417  0.416869  1
  H  H76  1  0.510141  0.403854  0.439567  1
  H  H77  1  0.414187  0.003489  0.456613  1
  H  H78  1  0.414062  0.537051  0.433910  1
  H  H79  1  0.414631  0.137062  0.450942  1
  H  H80  1  0.414839  0.670449  0.428162  1
  H  H81  1  1.009714  0.703166  0.490673  1
  H  H82  1  1.009923  0.236553  0.467893  1
  H  H83  1  1.010492  0.836563  0.484926  1
  H  H84  1  1.010367  0.370126  0.462223  1
  H  H85  1  0.914413  -0.030239  0.479268  1
  H  H86  1  0.914817  0.436198  0.501966  1
  H  H87  1  0.914338  0.103283  0.473580  1
  H  H88  1  0.914448  0.569820  0.496321  1
  H  H89  1  0.509923  0.736553  0.467893  1
  H  H90  1  0.509714  0.203166  0.490673  1
  H  H91  1  0.510367  0.870126  0.462223  1
  H  H92  1  0.510492  0.336563  0.484926  1
  H  H93  1  0.414817  0.936198  0.501966  1
  H  H94  1  0.414413  0.469761  0.479268  1
  H  H95  1  0.414448  0.069820  0.496321  1
  H  H96  1  0.414338  0.603283  0.473580  1
  H  H97  1  1.008663  0.636034  0.536059  1
  H  H98  1  1.009189  0.169266  0.513254  1
  H  H99  1  1.010342  0.769597  0.530426  1
  H  H100  1  1.010464  0.302834  0.507583  1
  H  H101  1  0.915447  0.902439  0.524626  1
  H  H102  1  0.916516  0.368750  0.547349  1
  H  H103  1  0.914447  0.035901  0.518919  1
  H  H104  1  0.915269  0.502445  0.541668  1
  H  H105  1  0.509189  0.669266  0.513254  1
  H  H106  1  0.508663  0.136034  0.536059  1
  H  H107  1  0.510464  0.802834  0.507583  1
  H  H108  1  0.510342  0.269597  0.530426  1
  H  H109  1  0.416516  0.868750  0.547349  1
  H  H110  1  0.415447  0.402439  0.524626  1
  H  H111  1  0.415269  0.002445  0.541668  1
  H  H112  1  0.414447  0.535901  0.518919  1
  H  H113  1  1.005688  0.568523  0.581352  1
  H  H114  1  1.007300  0.101628  0.558506  1
  H  H115  1  1.009556  0.702497  0.575830  1
  H  H116  1  1.010686  0.235456  0.552910  1
  H  H117  1  0.917789  0.835714  0.570432  1
  H  H118  1  0.920084  0.301046  0.592668  1
  H  H119  1  0.915974  -0.031679  0.564236  1
  H  H120  1  0.918294  0.434547  0.587075  1
  H  H121  1  0.507300  0.601628  0.558506  1
  H  H122  1  0.505688  0.068523  0.581352  1
  H  H123  1  0.510686  0.735456  0.552910  1
  H  H124  1  0.509556  0.202497  0.575830  1
  H  H125  1  0.420084  0.801046  0.592668  1
  H  H126  1  0.417789  0.335714  0.570432  1
  H  H127  1  0.418294  0.934547  0.587075  1
  H  H128  1  0.415974  0.468321  0.564236  1
  H  H129  1  0.997530  0.500455  0.626606  1
  H  H130  1  1.002714  0.033890  0.603483  1
  H  H131  1  1.004223  0.635408  0.620862  1
  H  H132  1  1.008728  0.167780  0.597887  1
  H  H133  1  0.922875  0.769152  0.615777  1
  H  H134  1  0.928744  0.232573  0.637417  1
  H  H135  1  0.920948  0.902633  0.610510  1
  H  H136  1  0.922345  0.366358  0.632296  1
  H  H137  1  0.502714  0.533890  0.603483  1
  H  H138  1  0.497530  0.000455  0.626606  1
  H  H139  1  0.508728  0.667780  0.597887  1
  H  H140  1  0.504223  0.135408  0.620862  1
  H  H141  1  0.428744  0.732573  0.637417  1
  H  H142  1  0.422875  0.269152  0.615777  1
  H  H143  1  0.422345  0.866358  0.632296  1
  H  H144  1  0.420948  0.402633  0.610510  1
  H  H145  1  0.983743  0.422819  0.673408  1
  H  H146  1  0.990734  -0.029927  0.651195  1
  H  H147  1  0.989140  0.561361  0.667150  1
  H  H148  1  1.000632  0.100222  0.642024  1
  H  H149  1  0.937407  0.698557  0.661552  1
  H  H150  1  0.955848  0.142297  0.684195  1
  H  H151  1  0.930046  0.834257  0.656199  1
  H  H152  1  0.929424  0.283463  0.678905  1
  H  H153  1  0.490734  0.470073  0.651195  1
  H  H154  1  0.483743  0.922819  0.673408  1
  H  H155  1  0.500632  0.600222  0.642024  1
  H  H156  1  0.489140  0.061361  0.667150  1
  H  H157  1  0.455848  0.642297  0.684195  1
  H  H158  1  0.437407  0.198557  0.661552  1
  H  H159  1  0.429424  0.783463  0.678905  1
  H  H160  1  0.430046  0.334257  0.656199  1
