# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53276214
_cell_length_b   15.17584128
_cell_length_c   45.35882980
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.82345488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H264
_cell_volume   4443.66413163
_cell_formula_units_Z   132
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  0.537975  0.758792  0.281838  1
  H  H2  1  0.663739  0.589424  0.292042  1
  H  H3  1  0.997072  0.756090  0.292042  1
  H  H4  1  0.204642  0.592125  0.281838  1
  H  H5  1  0.330406  0.422757  0.292042  1
  H  H6  1  0.537975  0.258792  0.281838  1
  H  H7  1  0.663739  0.089424  0.292042  1
  H  H8  1  0.871308  0.425458  0.281838  1
  H  H9  1  0.997072  0.256090  0.292042  1
  H  H10  1  0.204642  0.092125  0.281838  1
  H  H11  1  0.330406  0.922757  0.292042  1
  H  H12  1  0.871308  0.925458  0.281838  1
  H  H13  1  0.464376  0.753931  0.300199  1
  H  H14  1  0.590140  0.584563  0.310403  1
  H  H15  1  0.923473  0.751230  0.310403  1
  H  H16  1  0.131043  0.587264  0.300199  1
  H  H17  1  0.256807  0.417897  0.310403  1
  H  H18  1  0.464376  0.253931  0.300199  1
  H  H19  1  0.590140  0.084563  0.310403  1
  H  H20  1  0.797709  0.420598  0.300199  1
  H  H21  1  0.923473  0.251230  0.310403  1
  H  H22  1  0.131043  0.087264  0.300199  1
  H  H23  1  0.256807  0.917897  0.310403  1
  H  H24  1  0.797709  0.920598  0.300199  1
  H  H25  1  0.377295  0.748180  0.321923  1
  H  H26  1  0.503059  0.578812  0.332127  1
  H  H27  1  0.836392  0.745479  0.332127  1
  H  H28  1  0.043962  0.581514  0.321923  1
  H  H29  1  0.169726  0.412146  0.332127  1
  H  H30  1  0.377295  0.248180  0.321923  1
  H  H31  1  0.503059  0.078812  0.332127  1
  H  H32  1  0.710628  0.414847  0.321923  1
  H  H33  1  0.836392  0.245479  0.332127  1
  H  H34  1  0.043962  0.081514  0.321923  1
  H  H35  1  0.169726  0.912146  0.332127  1
  H  H36  1  0.710628  0.914847  0.321923  1
  H  H37  1  0.297443  0.742907  0.341844  1
  H  H38  1  0.423207  0.573539  0.352048  1
  H  H39  1  0.756540  0.740206  0.352048  1
  H  H40  1  0.964110  0.576240  0.341844  1
  H  H41  1  0.089874  0.406872  0.352048  1
  H  H42  1  0.297443  0.242907  0.341844  1
  H  H43  1  0.423207  0.073539  0.352048  1
  H  H44  1  0.630776  0.409574  0.341844  1
  H  H45  1  0.756540  0.240206  0.352048  1
  H  H46  1  0.964110  0.076240  0.341844  1
  H  H47  1  0.089874  0.906872  0.352048  1
  H  H48  1  0.630776  0.909574  0.341844  1
  H  H49  1  0.214613  0.737437  0.362508  1
  H  H50  1  0.340378  0.568069  0.372712  1
  H  H51  1  0.673711  0.734736  0.372712  1
  H  H52  1  0.881280  0.570770  0.362508  1
  H  H53  1  0.007044  0.401402  0.372712  1
  H  H54  1  0.214613  0.237437  0.362508  1
  H  H55  1  0.340378  0.068069  0.372712  1
  H  H56  1  0.547947  0.404104  0.362508  1
  H  H57  1  0.673711  0.234736  0.372712  1
  H  H58  1  0.881280  0.070770  0.362508  1
  H  H59  1  0.007044  0.901402  0.372712  1
  H  H60  1  0.547947  0.904104  0.362508  1
  H  H61  1  0.133218  0.732062  0.382813  1
  H  H62  1  0.258982  0.562694  0.393018  1
  H  H63  1  0.592316  0.729360  0.393018  1
  H  H64  1  0.799885  0.565395  0.382813  1
  H  H65  1  0.925649  0.396027  0.393018  1
  H  H66  1  0.133218  0.232062  0.382813  1
  H  H67  1  0.258982  0.062694  0.393018  1
  H  H68  1  0.466552  0.398728  0.382813  1
  H  H69  1  0.592316  0.229360  0.393018  1
  H  H70  1  0.799885  0.065395  0.382813  1
  H  H71  1  0.925649  0.896027  0.393018  1
  H  H72  1  0.466552  0.898728  0.382813  1
  H  H73  1  0.051171  0.726643  0.403282  1
  H  H74  1  0.176935  0.557275  0.413486  1
  H  H75  1  0.510269  0.723942  0.413486  1
  H  H76  1  0.717838  0.559977  0.403282  1
  H  H77  1  0.843602  0.390609  0.413486  1
  H  H78  1  0.051171  0.226643  0.403282  1
  H  H79  1  0.176935  0.057275  0.413486  1
  H  H80  1  0.384504  0.393310  0.403282  1
  H  H81  1  0.510269  0.223942  0.413486  1
  H  H82  1  0.717838  0.059977  0.403282  1
  H  H83  1  0.843602  0.890609  0.413486  1
  H  H84  1  0.384504  0.893310  0.403282  1
  H  H85  1  0.969430  0.721245  0.423674  1
  H  H86  1  0.095194  0.551877  0.433878  1
  H  H87  1  0.428527  0.718544  0.433878  1
  H  H88  1  0.636096  0.554578  0.423674  1
  H  H89  1  0.761860  0.385210  0.433878  1
  H  H90  1  0.969430  0.221245  0.423674  1
  H  H91  1  0.095194  0.051877  0.433878  1
  H  H92  1  0.302763  0.387912  0.423674  1
  H  H93  1  0.428527  0.218544  0.433878  1
  H  H94  1  0.636096  0.054578  0.423674  1
  H  H95  1  0.761860  0.885210  0.433878  1
  H  H96  1  0.302763  0.887912  0.423674  1
  H  H97  1  0.887546  0.715837  0.444102  1
  H  H98  1  0.013310  0.546470  0.454306  1
  H  H99  1  0.346644  0.713136  0.454306  1
  H  H100  1  0.554213  0.549171  0.444102  1
  H  H101  1  0.679977  0.379803  0.454306  1
  H  H102  1  0.887546  0.215837  0.444102  1
  H  H103  1  0.013310  0.046470  0.454306  1
  H  H104  1  0.220880  0.382504  0.444102  1
  H  H105  1  0.346644  0.213136  0.454306  1
  H  H106  1  0.554213  0.049171  0.444102  1
  H  H107  1  0.679977  0.879803  0.454306  1
  H  H108  1  0.220880  0.882504  0.444102  1
  H  H109  1  0.805730  0.710434  0.464513  1
  H  H110  1  0.931494  0.541066  0.474717  1
  H  H111  1  0.264828  0.707733  0.474717  1
  H  H112  1  0.472397  0.543768  0.464513  1
  H  H113  1  0.598161  0.374400  0.474717  1
  H  H114  1  0.805730  0.210434  0.464513  1
  H  H115  1  0.931494  0.041066  0.474717  1
  H  H116  1  0.139063  0.377101  0.464513  1
  H  H117  1  0.264828  0.207733  0.474717  1
  H  H118  1  0.472397  0.043768  0.464513  1
  H  H119  1  0.598161  0.874400  0.474717  1
  H  H120  1  0.139063  0.877101  0.464513  1
  H  H121  1  0.723880  0.705029  0.484932  1
  H  H122  1  0.849645  0.535661  0.495136  1
  H  H123  1  0.182978  0.702328  0.495136  1
  H  H124  1  0.390547  0.538362  0.484932  1
  H  H125  1  0.516311  0.368994  0.495136  1
  H  H126  1  0.723880  0.205029  0.484932  1
  H  H127  1  0.849645  0.035661  0.495136  1
  H  H128  1  0.057214  0.371696  0.484932  1
  H  H129  1  0.182978  0.202328  0.495136  1
  H  H130  1  0.390547  0.038362  0.484932  1
  H  H131  1  0.516311  0.868994  0.495136  1
  H  H132  1  0.057214  0.871696  0.484932  1
  H  H133  1  0.642051  0.699625  0.505346  1
  H  H134  1  0.767816  0.530257  0.515550  1
  H  H135  1  0.101149  0.696924  0.515550  1
  H  H136  1  0.308718  0.532958  0.505346  1
  H  H137  1  0.434482  0.363591  0.515550  1
  H  H138  1  0.642051  0.199625  0.505346  1
  H  H139  1  0.767816  0.030257  0.515550  1
  H  H140  1  0.975385  0.366292  0.505346  1
  H  H141  1  0.101149  0.196924  0.515550  1
  H  H142  1  0.308718  0.032958  0.505346  1
  H  H143  1  0.434482  0.863591  0.515550  1
  H  H144  1  0.975385  0.866292  0.505346  1
  H  H145  1  0.560202  0.694220  0.525765  1
  H  H146  1  0.685966  0.524852  0.535970  1
  H  H147  1  0.019299  0.691519  0.535970  1
  H  H148  1  0.226868  0.527553  0.525765  1
  H  H149  1  0.352632  0.358185  0.535970  1
  H  H150  1  0.560202  0.194220  0.525765  1
  H  H151  1  0.685966  0.024852  0.535970  1
  H  H152  1  0.893535  0.360886  0.525765  1
  H  H153  1  0.019299  0.191519  0.535970  1
  H  H154  1  0.226868  0.027553  0.525765  1
  H  H155  1  0.352632  0.858185  0.535970  1
  H  H156  1  0.893535  0.860886  0.525765  1
  H  H157  1  0.478386  0.688817  0.546176  1
  H  H158  1  0.604150  0.519449  0.556380  1
  H  H159  1  0.937483  0.686115  0.556380  1
  H  H160  1  0.145052  0.522150  0.546176  1
  H  H161  1  0.270816  0.352782  0.556380  1
  H  H162  1  0.478386  0.188817  0.546176  1
  H  H163  1  0.604150  0.019449  0.556380  1
  H  H164  1  0.811719  0.355483  0.546176  1
  H  H165  1  0.937483  0.186115  0.556380  1
  H  H166  1  0.145052  0.022150  0.546176  1
  H  H167  1  0.270816  0.852782  0.556380  1
  H  H168  1  0.811719  0.855483  0.546176  1
  H  H169  1  0.396502  0.683409  0.566604  1
  H  H170  1  0.522266  0.514041  0.576808  1
  H  H171  1  0.855600  0.680708  0.576808  1
  H  H172  1  0.063169  0.516742  0.566604  1
  H  H173  1  0.188933  0.347374  0.576808  1
  H  H174  1  0.396502  0.183409  0.566604  1
  H  H175  1  0.522266  0.014041  0.576808  1
  H  H176  1  0.729836  0.350076  0.566604  1
  H  H177  1  0.855600  0.180708  0.576808  1
  H  H178  1  0.063169  0.016742  0.566604  1
  H  H179  1  0.188933  0.847374  0.576808  1
  H  H180  1  0.729836  0.850076  0.566604  1
  H  H181  1  0.314761  0.678011  0.586996  1
  H  H182  1  0.440525  0.508643  0.597200  1
  H  H183  1  0.773858  0.675310  0.597200  1
  H  H184  1  0.981427  0.511344  0.586996  1
  H  H185  1  0.107191  0.341976  0.597200  1
  H  H186  1  0.314761  0.178011  0.586996  1
  H  H187  1  0.440525  0.008643  0.597200  1
  H  H188  1  0.648094  0.344678  0.586996  1
  H  H189  1  0.773858  0.175310  0.597200  1
  H  H190  1  0.981427  0.011344  0.586996  1
  H  H191  1  0.107191  0.841976  0.597200  1
  H  H192  1  0.648094  0.844678  0.586996  1
  H  H193  1  0.232714  0.672592  0.607465  1
  H  H194  1  0.358478  0.503225  0.617669  1
  H  H195  1  0.691811  0.669891  0.617669  1
  H  H196  1  0.899380  0.505926  0.607465  1
  H  H197  1  0.025144  0.336558  0.617669  1
  H  H198  1  0.232714  0.172592  0.607465  1
  H  H199  1  0.358478  0.003225  0.617669  1
  H  H200  1  0.566047  0.339259  0.607465  1
  H  H201  1  0.691811  0.169891  0.617669  1
  H  H202  1  0.899380  0.005926  0.607465  1
  H  H203  1  0.025144  0.836558  0.617669  1
  H  H204  1  0.566047  0.839259  0.607465  1
  H  H205  1  0.151318  0.667217  0.627771  1
  H  H206  1  0.277082  0.497849  0.637975  1
  H  H207  1  0.610416  0.664516  0.637975  1
  H  H208  1  0.817985  0.500550  0.627771  1
  H  H209  1  0.943749  0.331183  0.637975  1
  H  H210  1  0.151318  0.167217  0.627771  1
  H  H211  1  0.277082  0.997849  0.637975  1
  H  H212  1  0.484652  0.333884  0.627771  1
  H  H213  1  0.610416  0.164516  0.637975  1
  H  H214  1  0.817985  0.000550  0.627771  1
  H  H215  1  0.943749  0.831183  0.637975  1
  H  H216  1  0.484652  0.833884  0.627771  1
  H  H217  1  0.068489  0.661747  0.648434  1
  H  H218  1  0.194253  0.492379  0.658639  1
  H  H219  1  0.527586  0.659046  0.658639  1
  H  H220  1  0.735155  0.495080  0.648434  1
  H  H221  1  0.860920  0.325713  0.658639  1
  H  H222  1  0.068489  0.161747  0.648434  1
  H  H223  1  0.194253  0.992379  0.658639  1
  H  H224  1  0.401822  0.328414  0.648434  1
  H  H225  1  0.527586  0.159046  0.658639  1
  H  H226  1  0.735155  0.995080  0.648434  1
  H  H227  1  0.860920  0.825713  0.658639  1
  H  H228  1  0.401822  0.828414  0.648434  1
  H  H229  1  0.988637  0.656474  0.668355  1
  H  H230  1  0.114401  0.487106  0.678559  1
  H  H231  1  0.447734  0.653773  0.678559  1
  H  H232  1  0.655304  0.489807  0.668355  1
  H  H233  1  0.781068  0.320439  0.678559  1
  H  H234  1  0.988637  0.156474  0.668355  1
  H  H235  1  0.114401  0.987106  0.678559  1
  H  H236  1  0.321970  0.323140  0.668355  1
  H  H237  1  0.447734  0.153773  0.678559  1
  H  H238  1  0.655304  0.989807  0.668355  1
  H  H239  1  0.781068  0.820439  0.678559  1
  H  H240  1  0.321970  0.823140  0.668355  1
  H  H241  1  0.901556  0.650723  0.690080  1
  H  H242  1  0.027320  0.481355  0.700284  1
  H  H243  1  0.360653  0.648022  0.700284  1
  H  H244  1  0.568223  0.484056  0.690080  1
  H  H245  1  0.693987  0.314688  0.700284  1
  H  H246  1  0.901556  0.150723  0.690080  1
  H  H247  1  0.027320  0.981355  0.700284  1
  H  H248  1  0.234889  0.317390  0.690080  1
  H  H249  1  0.360653  0.148022  0.700284  1
  H  H250  1  0.568223  0.984056  0.690080  1
  H  H251  1  0.693987  0.814688  0.700284  1
  H  H252  1  0.234889  0.817390  0.690080  1
  H  H253  1  0.827957  0.645862  0.708441  1
  H  H254  1  0.953721  0.476495  0.718645  1
  H  H255  1  0.287054  0.643161  0.718645  1
  H  H256  1  0.494624  0.479196  0.708441  1
  H  H257  1  0.620388  0.309828  0.718645  1
  H  H258  1  0.827957  0.145862  0.708441  1
  H  H259  1  0.953721  0.976495  0.718645  1
  H  H260  1  0.161290  0.312529  0.708441  1
  H  H261  1  0.287054  0.143161  0.718645  1
  H  H262  1  0.494624  0.979196  0.708441  1
  H  H263  1  0.620388  0.809828  0.718645  1
  H  H264  1  0.161290  0.812529  0.708441  1
