# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93874692
_cell_length_b   15.02591138
_cell_length_c   48.36103988
_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   3588.83279948
_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  0.790482  0.340634  1
  H  H2  1  0.549794  0.413417  0.289352  1
  H  H3  1  0.549794  0.101950  0.314993  1
  H  H4  1  0.049794  0.767099  0.313213  1
  H  H5  1  0.049794  0.455631  0.338854  1
  H  H6  1  0.049794  0.078566  0.287572  1
  H  H7  1  0.950206  0.757684  0.302172  1
  H  H8  1  0.950206  0.446216  0.327813  1
  H  H9  1  0.950206  0.069151  0.276531  1
  H  H10  1  0.450206  0.734300  0.274751  1
  H  H11  1  0.450206  0.422832  0.300392  1
  H  H12  1  0.450206  0.111365  0.326033  1
  H  H13  1  0.049794  0.946216  0.327813  1
  H  H14  1  0.049794  0.569151  0.276531  1
  H  H15  1  0.049794  0.257684  0.302172  1
  H  H16  1  0.549794  0.922832  0.300392  1
  H  H17  1  0.549794  0.611365  0.326033  1
  H  H18  1  0.549794  0.234300  0.274751  1
  H  H19  1  0.450206  0.913417  0.289352  1
  H  H20  1  0.450206  0.601950  0.314993  1
  H  H21  1  0.450206  0.290482  0.340634  1
  H  H22  1  0.950206  0.955631  0.338854  1
  H  H23  1  0.950206  0.578566  0.287572  1
  H  H24  1  0.950206  0.267099  0.313213  1
  H  H25  1  0.549794  0.856080  0.417557  1
  H  H26  1  0.549794  0.479015  0.366275  1
  H  H27  1  0.549794  0.167548  0.391916  1
  H  H28  1  0.049794  0.832696  0.390136  1
  H  H29  1  0.049794  0.521229  0.415777  1
  H  H30  1  0.049794  0.144164  0.364495  1
  H  H31  1  0.950206  0.823281  0.379095  1
  H  H32  1  0.950206  0.511814  0.404736  1
  H  H33  1  0.950206  0.134749  0.353454  1
  H  H34  1  0.450206  0.799897  0.351674  1
  H  H35  1  0.450206  0.488430  0.377315  1
  H  H36  1  0.450206  0.176963  0.402956  1
  H  H37  1  0.049794  0.011814  0.404736  1
  H  H38  1  0.049794  0.634749  0.353454  1
  H  H39  1  0.049794  0.323281  0.379095  1
  H  H40  1  0.549794  0.988430  0.377315  1
  H  H41  1  0.549794  0.676963  0.402956  1
  H  H42  1  0.549794  0.299897  0.351674  1
  H  H43  1  0.450206  0.979015  0.366275  1
  H  H44  1  0.450206  0.667548  0.391916  1
  H  H45  1  0.450206  0.356080  0.417557  1
  H  H46  1  0.950206  0.021229  0.415777  1
  H  H47  1  0.950206  0.644164  0.364495  1
  H  H48  1  0.950206  0.332696  0.390136  1
  H  H49  1  0.549794  0.921678  0.494480  1
  H  H50  1  0.549794  0.544613  0.443198  1
  H  H51  1  0.549794  0.233145  0.468839  1
  H  H52  1  0.049794  0.898294  0.467059  1
  H  H53  1  0.049794  0.586827  0.492700  1
  H  H54  1  0.049794  0.209762  0.441418  1
  H  H55  1  0.950206  0.888879  0.456018  1
  H  H56  1  0.950206  0.577412  0.481659  1
  H  H57  1  0.950206  0.200347  0.430377  1
  H  H58  1  0.450206  0.865495  0.428597  1
  H  H59  1  0.450206  0.554028  0.454238  1
  H  H60  1  0.450206  0.242560  0.479879  1
  H  H61  1  0.049794  0.077412  0.481659  1
  H  H62  1  0.049794  0.700347  0.430377  1
  H  H63  1  0.049794  0.388879  0.456018  1
  H  H64  1  0.549794  0.054028  0.454238  1
  H  H65  1  0.549794  0.742560  0.479879  1
  H  H66  1  0.549794  0.365495  0.428597  1
  H  H67  1  0.450206  0.044613  0.443198  1
  H  H68  1  0.450206  0.733145  0.468839  1
  H  H69  1  0.450206  0.421678  0.494480  1
  H  H70  1  0.950206  0.086827  0.492700  1
  H  H71  1  0.950206  0.709762  0.441418  1
  H  H72  1  0.950206  0.398294  0.467059  1
  H  H73  1  0.549794  0.987276  0.571403  1
  H  H74  1  0.549794  0.610211  0.520121  1
  H  H75  1  0.549794  0.298743  0.545762  1
  H  H76  1  0.049794  0.963892  0.543982  1
  H  H77  1  0.049794  0.652424  0.569623  1
  H  H78  1  0.049794  0.275359  0.518341  1
  H  H79  1  0.950206  0.954477  0.532941  1
  H  H80  1  0.950206  0.643009  0.558582  1
  H  H81  1  0.950206  0.265944  0.507300  1
  H  H82  1  0.450206  0.931093  0.505520  1
  H  H83  1  0.450206  0.619626  0.531161  1
  H  H84  1  0.450206  0.308158  0.556802  1
  H  H85  1  0.049794  0.143009  0.558582  1
  H  H86  1  0.049794  0.765944  0.507300  1
  H  H87  1  0.049794  0.454477  0.532941  1
  H  H88  1  0.549794  0.119626  0.531161  1
  H  H89  1  0.549794  0.808158  0.556802  1
  H  H90  1  0.549794  0.431093  0.505520  1
  H  H91  1  0.450206  0.110211  0.520121  1
  H  H92  1  0.450206  0.798743  0.545762  1
  H  H93  1  0.450206  0.487276  0.571403  1
  H  H94  1  0.950206  0.152424  0.569623  1
  H  H95  1  0.950206  0.775359  0.518341  1
  H  H96  1  0.950206  0.463892  0.543982  1
  H  H97  1  0.549794  0.052874  0.648326  1
  H  H98  1  0.549794  0.675808  0.597044  1
  H  H99  1  0.549794  0.364341  0.622685  1
  H  H100  1  0.049794  0.029490  0.620905  1
  H  H101  1  0.049794  0.718022  0.646546  1
  H  H102  1  0.049794  0.340957  0.595264  1
  H  H103  1  0.950206  0.020075  0.609864  1
  H  H104  1  0.950206  0.708607  0.635505  1
  H  H105  1  0.950206  0.331542  0.584223  1
  H  H106  1  0.450206  0.996691  0.582443  1
  H  H107  1  0.450206  0.685223  0.608084  1
  H  H108  1  0.450206  0.373756  0.633725  1
  H  H109  1  0.049794  0.208607  0.635505  1
  H  H110  1  0.049794  0.831542  0.584223  1
  H  H111  1  0.049794  0.520075  0.609864  1
  H  H112  1  0.549794  0.185223  0.608084  1
  H  H113  1  0.549794  0.873756  0.633725  1
  H  H114  1  0.549794  0.496691  0.582443  1
  H  H115  1  0.450206  0.175808  0.597044  1
  H  H116  1  0.450206  0.864341  0.622685  1
  H  H117  1  0.450206  0.552874  0.648326  1
  H  H118  1  0.950206  0.218022  0.646546  1
  H  H119  1  0.950206  0.840957  0.595264  1
  H  H120  1  0.950206  0.529490  0.620905  1
  H  H121  1  0.549794  0.118471  0.725249  1
  H  H122  1  0.549794  0.741406  0.673967  1
  H  H123  1  0.549794  0.429939  0.699608  1
  H  H124  1  0.049794  0.095087  0.697828  1
  H  H125  1  0.049794  0.783620  0.723469  1
  H  H126  1  0.049794  0.406555  0.672187  1
  H  H127  1  0.950206  0.085672  0.686787  1
  H  H128  1  0.950206  0.774205  0.712428  1
  H  H129  1  0.950206  0.397140  0.661146  1
  H  H130  1  0.450206  0.062289  0.659366  1
  H  H131  1  0.450206  0.750821  0.685007  1
  H  H132  1  0.450206  0.439354  0.710648  1
  H  H133  1  0.049794  0.274205  0.712428  1
  H  H134  1  0.049794  0.897140  0.661146  1
  H  H135  1  0.049794  0.585672  0.686787  1
  H  H136  1  0.549794  0.250821  0.685007  1
  H  H137  1  0.549794  0.939354  0.710648  1
  H  H138  1  0.549794  0.562289  0.659366  1
  H  H139  1  0.450206  0.241406  0.673967  1
  H  H140  1  0.450206  0.929939  0.699608  1
  H  H141  1  0.450206  0.618471  0.725249  1
  H  H142  1  0.950206  0.283620  0.723469  1
  H  H143  1  0.950206  0.906555  0.672187  1
  H  H144  1  0.950206  0.595087  0.697828  1
