# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93874692
_cell_length_b   15.06844787
_cell_length_c   48.22452223
_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   3588.83280151
_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  0.549794  0.062218  0.278371  1
  H  H2  1  0.549794  0.257902  0.329653  1
  H  H3  1  0.549794  0.660060  0.304012  1
  H  H4  1  0.049794  0.785988  0.337013  1
  H  H5  1  0.049794  0.188146  0.311372  1
  H  H6  1  0.049794  0.590304  0.285731  1
  H  H7  1  0.950206  0.160060  0.304012  1
  H  H8  1  0.950206  0.562218  0.278371  1
  H  H9  1  0.950206  0.757902  0.329653  1
  H  H10  1  0.450206  0.090304  0.285731  1
  H  H11  1  0.450206  0.285988  0.337013  1
  H  H12  1  0.450206  0.688146  0.311372  1
  H  H13  1  0.049794  0.958981  0.316833  1
  H  H14  1  0.049794  0.361139  0.291192  1
  H  H15  1  0.049794  0.556823  0.342474  1
  H  H16  1  0.549794  0.889225  0.298552  1
  H  H17  1  0.549794  0.291383  0.272911  1
  H  H18  1  0.549794  0.487067  0.324193  1
  H  H19  1  0.450206  0.056823  0.342474  1
  H  H20  1  0.450206  0.458981  0.316833  1
  H  H21  1  0.450206  0.861139  0.291192  1
  H  H22  1  0.950206  0.987067  0.324193  1
  H  H23  1  0.950206  0.389225  0.298552  1
  H  H24  1  0.950206  0.791383  0.272911  1
  H  H25  1  0.549794  0.855744  0.355294  1
  H  H26  1  0.549794  0.051428  0.406576  1
  H  H27  1  0.549794  0.453586  0.380935  1
  H  H28  1  0.049794  0.579513  0.413937  1
  H  H29  1  0.049794  0.981671  0.388296  1
  H  H30  1  0.049794  0.383830  0.362655  1
  H  H31  1  0.950206  0.953586  0.380935  1
  H  H32  1  0.950206  0.355744  0.355294  1
  H  H33  1  0.950206  0.551428  0.406576  1
  H  H34  1  0.450206  0.883830  0.362655  1
  H  H35  1  0.450206  0.079513  0.413937  1
  H  H36  1  0.450206  0.481671  0.388296  1
  H  H37  1  0.049794  0.752507  0.393756  1
  H  H38  1  0.049794  0.154665  0.368115  1
  H  H39  1  0.049794  0.350349  0.419397  1
  H  H40  1  0.549794  0.682751  0.375475  1
  H  H41  1  0.549794  0.084909  0.349834  1
  H  H42  1  0.549794  0.280592  0.401116  1
  H  H43  1  0.450206  0.850349  0.419397  1
  H  H44  1  0.450206  0.252507  0.393756  1
  H  H45  1  0.450206  0.654665  0.368115  1
  H  H46  1  0.950206  0.780592  0.401116  1
  H  H47  1  0.950206  0.182751  0.375475  1
  H  H48  1  0.950206  0.584909  0.349834  1
  H  H49  1  0.549794  0.649270  0.432217  1
  H  H50  1  0.549794  0.844953  0.483499  1
  H  H51  1  0.549794  0.247111  0.457858  1
  H  H52  1  0.049794  0.373039  0.490860  1
  H  H53  1  0.049794  0.775197  0.465219  1
  H  H54  1  0.049794  0.177355  0.439578  1
  H  H55  1  0.950206  0.747111  0.457858  1
  H  H56  1  0.950206  0.149270  0.432217  1
  H  H57  1  0.950206  0.344953  0.483499  1
  H  H58  1  0.450206  0.677355  0.439578  1
  H  H59  1  0.450206  0.873039  0.490860  1
  H  H60  1  0.450206  0.275197  0.465219  1
  H  H61  1  0.049794  0.546032  0.470679  1
  H  H62  1  0.049794  0.948190  0.445038  1
  H  H63  1  0.049794  0.143874  0.496320  1
  H  H64  1  0.549794  0.476276  0.452398  1
  H  H65  1  0.549794  0.878434  0.426757  1
  H  H66  1  0.549794  0.074118  0.478039  1
  H  H67  1  0.450206  0.643874  0.496320  1
  H  H68  1  0.450206  0.046032  0.470679  1
  H  H69  1  0.450206  0.448190  0.445038  1
  H  H70  1  0.950206  0.574118  0.478039  1
  H  H71  1  0.950206  0.976276  0.452398  1
  H  H72  1  0.950206  0.378434  0.426757  1
  H  H73  1  0.549794  0.442795  0.509140  1
  H  H74  1  0.549794  0.638479  0.560422  1
  H  H75  1  0.549794  0.040637  0.534781  1
  H  H76  1  0.049794  0.166565  0.567783  1
  H  H77  1  0.049794  0.568723  0.542142  1
  H  H78  1  0.049794  0.970881  0.516501  1
  H  H79  1  0.950206  0.540637  0.534781  1
  H  H80  1  0.950206  0.942795  0.509140  1
  H  H81  1  0.950206  0.138479  0.560422  1
  H  H82  1  0.450206  0.470881  0.516501  1
  H  H83  1  0.450206  0.666565  0.567783  1
  H  H84  1  0.450206  0.068723  0.542142  1
  H  H85  1  0.049794  0.339558  0.547602  1
  H  H86  1  0.049794  0.741716  0.521961  1
  H  H87  1  0.049794  0.937400  0.573243  1
  H  H88  1  0.549794  0.269802  0.529321  1
  H  H89  1  0.549794  0.671960  0.503680  1
  H  H90  1  0.549794  0.867644  0.554962  1
  H  H91  1  0.450206  0.437400  0.573243  1
  H  H92  1  0.450206  0.839558  0.547602  1
  H  H93  1  0.450206  0.241716  0.521961  1
  H  H94  1  0.950206  0.367644  0.554962  1
  H  H95  1  0.950206  0.769802  0.529321  1
  H  H96  1  0.950206  0.171960  0.503680  1
  H  H97  1  0.549794  0.236321  0.586063  1
  H  H98  1  0.549794  0.432005  0.637345  1
  H  H99  1  0.549794  0.834163  0.611704  1
  H  H100  1  0.049794  0.960091  0.644706  1
  H  H101  1  0.049794  0.362249  0.619065  1
  H  H102  1  0.049794  0.764407  0.593424  1
  H  H103  1  0.950206  0.334163  0.611704  1
  H  H104  1  0.950206  0.736321  0.586063  1
  H  H105  1  0.950206  0.932005  0.637345  1
  H  H106  1  0.450206  0.264407  0.593424  1
  H  H107  1  0.450206  0.460091  0.644706  1
  H  H108  1  0.450206  0.862249  0.619065  1
  H  H109  1  0.049794  0.133084  0.624525  1
  H  H110  1  0.049794  0.535242  0.598884  1
  H  H111  1  0.049794  0.730926  0.650166  1
  H  H112  1  0.549794  0.063328  0.606244  1
  H  H113  1  0.549794  0.465486  0.580603  1
  H  H114  1  0.549794  0.661170  0.631885  1
  H  H115  1  0.450206  0.230926  0.650166  1
  H  H116  1  0.450206  0.633084  0.624525  1
  H  H117  1  0.450206  0.035242  0.598884  1
  H  H118  1  0.950206  0.161170  0.631885  1
  H  H119  1  0.950206  0.563328  0.606244  1
  H  H120  1  0.950206  0.965486  0.580603  1
  H  H121  1  0.549794  0.029847  0.662987  1
  H  H122  1  0.549794  0.225531  0.714269  1
  H  H123  1  0.549794  0.627689  0.688628  1
  H  H124  1  0.049794  0.753616  0.721629  1
  H  H125  1  0.049794  0.155774  0.695988  1
  H  H126  1  0.049794  0.557932  0.670347  1
  H  H127  1  0.950206  0.127689  0.688628  1
  H  H128  1  0.950206  0.529847  0.662987  1
  H  H129  1  0.950206  0.725531  0.714269  1
  H  H130  1  0.450206  0.057932  0.670347  1
  H  H131  1  0.450206  0.253616  0.721629  1
  H  H132  1  0.450206  0.655774  0.695988  1
  H  H133  1  0.049794  0.926610  0.701448  1
  H  H134  1  0.049794  0.328768  0.675807  1
  H  H135  1  0.049794  0.524451  0.727089  1
  H  H136  1  0.549794  0.856853  0.683167  1
  H  H137  1  0.549794  0.259011  0.657526  1
  H  H138  1  0.549794  0.454695  0.708808  1
  H  H139  1  0.450206  0.024451  0.727089  1
  H  H140  1  0.450206  0.426610  0.701448  1
  H  H141  1  0.450206  0.828768  0.675807  1
  H  H142  1  0.950206  0.954695  0.708808  1
  H  H143  1  0.950206  0.356853  0.683167  1
  H  H144  1  0.950206  0.759011  0.657526  1
