# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46402600
_cell_length_b   9.39496584
_cell_length_c   45.55809984
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2938.72276668
_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  0.165578  0.162695  0.308467  1
  H  H2  1  0.665578  0.162695  0.308467  1
  H  H3  1  0.619968  0.571372  0.284775  1
  H  H4  1  0.035089  0.900878  0.282166  1
  H  H5  1  0.119968  0.571372  0.284775  1
  H  H6  1  0.535089  0.900878  0.282166  1
  H  H7  1  0.869968  0.071372  0.284775  1
  H  H8  1  0.369968  0.071372  0.284775  1
  H  H9  1  0.285089  0.400878  0.282166  1
  H  H10  1  0.415578  0.662695  0.308467  1
  H  H11  1  0.785089  0.400878  0.282166  1
  H  H12  1  0.915578  0.662695  0.308467  1
  H  H13  1  0.873745  0.079286  0.336296  1
  H  H14  1  0.373745  0.079286  0.336296  1
  H  H15  1  0.295925  0.423586  0.333308  1
  H  H16  1  0.746077  0.823440  0.310567  1
  H  H17  1  0.795925  0.423586  0.333308  1
  H  H18  1  0.246077  0.823440  0.310567  1
  H  H19  1  0.545925  0.923586  0.333308  1
  H  H20  1  0.045925  0.923586  0.333308  1
  H  H21  1  0.996077  0.323440  0.310567  1
  H  H22  1  0.123745  0.579286  0.336296  1
  H  H23  1  0.496077  0.323440  0.310567  1
  H  H24  1  0.623745  0.579286  0.336296  1
  H  H25  1  0.555936  0.944739  0.383463  1
  H  H26  1  0.055936  0.944739  0.383463  1
  H  H27  1  0.003055  0.338432  0.361405  1
  H  H28  1  0.426221  0.684626  0.358443  1
  H  H29  1  0.503055  0.338432  0.361405  1
  H  H30  1  0.926221  0.684626  0.358443  1
  H  H31  1  0.253055  0.838432  0.361405  1
  H  H32  1  0.753055  0.838432  0.361405  1
  H  H33  1  0.676221  0.184626  0.358443  1
  H  H34  1  0.805936  0.444739  0.383463  1
  H  H35  1  0.176221  0.184626  0.358443  1
  H  H36  1  0.305936  0.444739  0.383463  1
  H  H37  1  0.262616  0.858921  0.412073  1
  H  H38  1  0.762616  0.858921  0.412073  1
  H  H39  1  0.685836  0.205236  0.408715  1
  H  H40  1  0.132835  0.598634  0.386860  1
  H  H41  1  0.185836  0.205236  0.408715  1
  H  H42  1  0.632835  0.598634  0.386860  1
  H  H43  1  0.935836  0.705236  0.408715  1
  H  H44  1  0.435836  0.705236  0.408715  1
  H  H45  1  0.382835  0.098634  0.386860  1
  H  H46  1  0.512616  0.358921  0.412073  1
  H  H47  1  0.882835  0.098634  0.386860  1
  H  H48  1  0.012616  0.358921  0.412073  1
  H  H49  1  0.945714  0.726478  0.459099  1
  H  H50  1  0.445714  0.726478  0.459099  1
  H  H51  1  0.392511  0.119444  0.437420  1
  H  H52  1  0.815729  0.465758  0.433857  1
  H  H53  1  0.892511  0.119444  0.437420  1
  H  H54  1  0.315729  0.465758  0.433857  1
  H  H55  1  0.642511  0.619444  0.437420  1
  H  H56  1  0.142511  0.619444  0.437420  1
  H  H57  1  0.065729  0.965758  0.433857  1
  H  H58  1  0.195714  0.226478  0.459099  1
  H  H59  1  0.565729  0.965758  0.433857  1
  H  H60  1  0.695714  0.226478  0.459099  1
  H  H61  1  0.652391  0.640726  0.487910  1
  H  H62  1  0.152391  0.640726  0.487910  1
  H  H63  1  0.075681  0.987176  0.484302  1
  H  H64  1  0.522428  0.380038  0.462646  1
  H  H65  1  0.575681  0.987176  0.484302  1
  H  H66  1  0.022428  0.380038  0.462646  1
  H  H67  1  0.325681  0.487176  0.484302  1
  H  H68  1  0.825681  0.487176  0.484302  1
  H  H69  1  0.772428  0.880038  0.462646  1
  H  H70  1  0.902391  0.140726  0.487910  1
  H  H71  1  0.272428  0.880038  0.462646  1
  H  H72  1  0.402391  0.140726  0.487910  1
  H  H73  1  0.335628  0.508601  0.534799  1
  H  H74  1  0.835628  0.508601  0.534799  1
  H  H75  1  0.782375  0.901463  0.513142  1
  H  H76  1  0.205665  0.247912  0.509534  1
  H  H77  1  0.282375  0.901463  0.513142  1
  H  H78  1  0.705665  0.247912  0.509534  1
  H  H79  1  0.032375  0.401463  0.513142  1
  H  H80  1  0.532375  0.401463  0.513142  1
  H  H81  1  0.455665  0.747912  0.509534  1
  H  H82  1  0.585628  0.008601  0.534799  1
  H  H83  1  0.955665  0.747912  0.509534  1
  H  H84  1  0.085628  0.008601  0.534799  1
  H  H85  1  0.042327  0.422881  0.563588  1
  H  H86  1  0.542327  0.422881  0.563588  1
  H  H87  1  0.465545  0.769194  0.560025  1
  H  H88  1  0.912342  0.162161  0.538346  1
  H  H89  1  0.965545  0.769194  0.560025  1
  H  H90  1  0.412342  0.162161  0.538346  1
  H  H91  1  0.715545  0.269194  0.560025  1
  H  H92  1  0.215545  0.269194  0.560025  1
  H  H93  1  0.162342  0.662161  0.538346  1
  H  H94  1  0.292327  0.922881  0.563588  1
  H  H95  1  0.662342  0.662161  0.538346  1
  H  H96  1  0.792327  0.922881  0.563588  1
  H  H97  1  0.725220  0.290005  0.610585  1
  H  H98  1  0.225220  0.290005  0.610585  1
  H  H99  1  0.172219  0.683403  0.588730  1
  H  H100  1  0.595440  0.029717  0.585372  1
  H  H101  1  0.672219  0.683403  0.588730  1
  H  H102  1  0.095440  0.029717  0.585372  1
  H  H103  1  0.422219  0.183403  0.588730  1
  H  H104  1  0.922219  0.183403  0.588730  1
  H  H105  1  0.845440  0.529717  0.585372  1
  H  H106  1  0.975220  0.790005  0.610585  1
  H  H107  1  0.345440  0.529717  0.585372  1
  H  H108  1  0.475220  0.790005  0.610585  1
  H  H109  1  0.431834  0.204013  0.639002  1
  H  H110  1  0.931834  0.204013  0.639002  1
  H  H111  1  0.855001  0.550207  0.636039  1
  H  H112  1  0.302120  0.943899  0.613981  1
  H  H113  1  0.355001  0.550207  0.636039  1
  H  H114  1  0.802120  0.943899  0.613981  1
  H  H115  1  0.105001  0.050207  0.636039  1
  H  H116  1  0.605001  0.050207  0.636039  1
  H  H117  1  0.552120  0.443899  0.613981  1
  H  H118  1  0.681834  0.704013  0.639002  1
  H  H119  1  0.052120  0.443899  0.613981  1
  H  H120  1  0.181834  0.704013  0.639002  1
  H  H121  1  0.111979  0.065198  0.686877  1
  H  H122  1  0.611979  0.065198  0.686877  1
  H  H123  1  0.562131  0.465053  0.664137  1
  H  H124  1  0.984311  0.809353  0.661149  1
  H  H125  1  0.062131  0.465053  0.664137  1
  H  H126  1  0.484311  0.809353  0.661149  1
  H  H127  1  0.812131  0.965053  0.664137  1
  H  H128  1  0.312131  0.965053  0.664137  1
  H  H129  1  0.234311  0.309353  0.661149  1
  H  H130  1  0.361979  0.565198  0.686877  1
  H  H131  1  0.734311  0.309353  0.661149  1
  H  H132  1  0.861979  0.565198  0.686877  1
  H  H133  1  0.822966  0.987761  0.715279  1
  H  H134  1  0.322966  0.987761  0.715279  1
  H  H135  1  0.238087  0.317267  0.712669  1
  H  H136  1  0.692478  0.725944  0.688978  1
  H  H137  1  0.738087  0.317267  0.712669  1
  H  H138  1  0.192478  0.725944  0.688978  1
  H  H139  1  0.488087  0.817267  0.712669  1
  H  H140  1  0.988087  0.817267  0.712669  1
  H  H141  1  0.942478  0.225944  0.688978  1
  H  H142  1  0.072966  0.487761  0.715279  1
  H  H143  1  0.442478  0.225944  0.688978  1
  H  H144  1  0.572966  0.487761  0.715279  1
