# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95416802
_cell_length_b   17.35524788
_cell_length_c   59.43929981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.29344076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H336
_cell_volume   6885.68832617
_cell_formula_units_Z   168
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  0.247032  0.617022  0.184197  1
  H  H2  1  0.913699  0.617022  0.184197  1
  H  H3  1  0.724037  0.093637  0.204763  1
  H  H4  1  0.580366  0.617022  0.184197  1
  H  H5  1  0.390704  0.093637  0.204763  1
  H  H6  1  1.057370  0.093637  0.204763  1
  H  H7  1  1.101395  0.404614  0.159172  1
  H  H8  1  0.768062  0.404614  0.159172  1
  H  H9  1  0.673523  0.004728  0.176095  1
  H  H10  1  0.434729  0.404614  0.159172  1
  H  H11  1  0.340189  0.004728  0.176095  1
  H  H12  1  1.006856  0.004728  0.176095  1
  H  H13  1  0.735534  0.361171  0.194141  1
  H  H14  1  0.402200  0.361171  0.194141  1
  H  H15  1  0.420775  0.875942  0.178721  1
  H  H16  1  1.068867  0.361171  0.194141  1
  H  H17  1  1.087441  0.875942  0.178721  1
  H  H18  1  0.754108  0.875942  0.178721  1
  H  H19  1  0.167468  0.747307  0.181497  1
  H  H20  1  0.834135  0.747307  0.181497  1
  H  H21  1  0.843510  0.272916  0.170853  1
  H  H22  1  0.500801  0.747307  0.181497  1
  H  H23  1  0.510177  0.272916  0.170853  1
  H  H24  1  0.176844  0.272916  0.170853  1
  H  H25  1  1.050796  0.577693  0.217025  1
  H  H26  1  0.717463  0.577693  0.217025  1
  H  H27  1  0.532022  0.050039  0.237423  1
  H  H28  1  0.384130  0.577693  0.217025  1
  H  H29  1  0.198689  0.050039  0.237423  1
  H  H30  1  0.865355  0.050039  0.237423  1
  H  H31  1  0.991824  0.487604  0.187387  1
  H  H32  1  0.658491  0.487604  0.187387  1
  H  H33  1  0.474429  0.962575  0.208658  1
  H  H34  1  0.325158  0.487604  0.187387  1
  H  H35  1  1.141095  0.962575  0.208658  1
  H  H36  1  0.807762  0.962575  0.208658  1
  H  H37  1  0.538786  0.317924  0.224659  1
  H  H38  1  0.205453  0.317924  0.224659  1
  H  H39  1  0.222519  0.834538  0.211291  1
  H  H40  1  0.872119  0.317924  0.224659  1
  H  H41  1  0.889186  0.834538  0.211291  1
  H  H42  1  0.555853  0.834538  0.211291  1
  H  H43  1  0.969686  0.705878  0.214034  1
  H  H44  1  0.636353  0.705878  0.214034  1
  H  H45  1  0.642300  0.220194  0.202799  1
  H  H46  1  0.303019  0.705878  0.214034  1
  H  H47  1  0.308966  0.220194  0.202799  1
  H  H48  1  0.975633  0.220194  0.202799  1
  H  H49  1  0.856055  0.537671  0.249740  1
  H  H50  1  0.522722  0.537671  0.249740  1
  H  H51  1  0.337658  0.007733  0.269825  1
  H  H52  1  0.189389  0.537671  0.249740  1
  H  H53  1  1.004324  0.007733  0.269825  1
  H  H54  1  0.670991  0.007733  0.269825  1
  H  H55  1  0.798542  0.451595  0.221009  1
  H  H56  1  0.465209  0.451595  0.221009  1
  H  H57  1  0.280571  0.920961  0.240608  1
  H  H58  1  1.131876  0.451595  0.221009  1
  H  H59  1  0.947238  0.920961  0.240608  1
  H  H60  1  0.613904  0.920961  0.240608  1
  H  H61  1  0.345577  0.277452  0.255986  1
  H  H62  1  1.012244  0.277452  0.255986  1
  H  H63  1  1.028137  0.792511  0.243344  1
  H  H64  1  0.678911  0.277452  0.255986  1
  H  H65  1  0.694804  0.792511  0.243344  1
  H  H66  1  0.361471  0.792511  0.243344  1
  H  H67  1  0.775416  0.664591  0.246277  1
  H  H68  1  0.442083  0.664591  0.246277  1
  H  H69  1  0.450709  0.178139  0.235358  1
  H  H70  1  1.108750  0.664591  0.246277  1
  H  H71  1  1.117375  0.178139  0.235358  1
  H  H72  1  0.784042  0.178139  0.235358  1
  H  H73  1  0.660668  0.495269  0.281950  1
  H  H74  1  0.327335  0.495269  0.281950  1
  H  H75  1  1.143387  0.965722  0.302140  1
  H  H76  1  0.994001  0.495269  0.281950  1
  H  H77  1  0.810053  0.965722  0.302140  1
  H  H78  1  0.476720  0.965722  0.302140  1
  H  H79  1  0.602039  0.408198  0.252969  1
  H  H80  1  0.268706  0.408198  0.252969  1
  H  H81  1  1.085774  0.879245  0.272790  1
  H  H82  1  0.935373  0.408198  0.252969  1
  H  H83  1  0.752441  0.879245  0.272790  1
  H  H84  1  0.419107  0.879245  0.272790  1
  H  H85  1  1.152189  0.236138  0.287650  1
  H  H86  1  0.818856  0.236138  0.287650  1
  H  H87  1  0.833508  0.751297  0.275674  1
  H  H88  1  0.485522  0.236138  0.287650  1
  H  H89  1  0.500175  0.751297  0.275674  1
  H  H90  1  0.166841  0.751297  0.275674  1
  H  H91  1  0.580754  0.623854  0.278840  1
  H  H92  1  0.247421  0.623854  0.278840  1
  H  H93  1  0.257043  0.135892  0.267478  1
  H  H94  1  0.914088  0.623854  0.278840  1
  H  H95  1  0.923710  0.135892  0.267478  1
  H  H96  1  0.590376  0.135892  0.267478  1
  H  H97  1  0.465481  0.452988  0.314089  1
  H  H98  1  1.132147  0.452988  0.314089  1
  H  H99  1  0.948985  0.924054  0.334448  1
  H  H100  1  0.798814  0.452988  0.314089  1
  H  H101  1  0.615652  0.924054  0.334448  1
  H  H102  1  0.282319  0.924054  0.334448  1
  H  H103  1  0.406895  0.366035  0.285016  1
  H  H104  1  1.073562  0.366035  0.285016  1
  H  H105  1  0.891342  0.837716  0.305084  1
  H  H106  1  0.740229  0.366035  0.285016  1
  H  H107  1  0.558009  0.837716  0.305084  1
  H  H108  1  0.224675  0.837716  0.305084  1
  H  H109  1  0.958720  0.194720  0.319557  1
  H  H110  1  0.625387  0.194720  0.319557  1
  H  H111  1  0.638874  0.710020  0.308095  1
  H  H112  1  0.292053  0.194720  0.319557  1
  H  H113  1  0.305541  0.710020  0.308095  1
  H  H114  1  0.972207  0.710020  0.308095  1
  H  H115  1  0.385692  0.581739  0.311113  1
  H  H116  1  1.052358  0.581739  0.311113  1
  H  H117  1  1.063121  0.094048  0.299706  1
  H  H118  1  0.719025  0.581739  0.311113  1
  H  H119  1  0.729787  0.094048  0.299706  1
  H  H120  1  0.396454  0.094048  0.299706  1
  H  H121  1  0.270435  0.410744  0.346195  1
  H  H122  1  0.937102  0.410744  0.346195  1
  H  H123  1  0.754466  0.882472  0.366741  1
  H  H124  1  0.603768  0.410744  0.346195  1
  H  H125  1  0.421133  0.882472  0.366741  1
  H  H126  1  1.087800  0.882472  0.366741  1
  H  H127  1  0.212169  0.323944  0.317023  1
  H  H128  1  0.878836  0.323944  0.317023  1
  H  H129  1  0.696802  0.796209  0.337421  1
  H  H130  1  0.545502  0.323944  0.317023  1
  H  H131  1  0.363469  0.796209  0.337421  1
  H  H132  1  1.030136  0.796209  0.337421  1
  H  H133  1  0.764725  0.153170  0.351602  1
  H  H134  1  0.431391  0.153170  0.351602  1
  H  H135  1  0.443902  0.668043  0.340362  1
  H  H136  1  1.098058  0.153170  0.351602  1
  H  H137  1  1.110569  0.668043  0.340362  1
  H  H138  1  0.777236  0.668043  0.340362  1
  H  H139  1  0.190590  0.539501  0.343300  1
  H  H140  1  0.857257  0.539501  0.343300  1
  H  H141  1  0.868489  0.052299  0.331933  1
  H  H142  1  0.523923  0.539501  0.343300  1
  H  H143  1  0.535156  0.052299  0.331933  1
  H  H144  1  0.201822  0.052299  0.331933  1
  H  H145  1  1.075540  0.368607  0.378324  1
  H  H146  1  0.742207  0.368607  0.378324  1
  H  H147  1  0.559822  0.840730  0.398951  1
  H  H148  1  0.408873  0.368607  0.378324  1
  H  H149  1  0.226489  0.840730  0.398951  1
  H  H150  1  0.893155  0.840730  0.398951  1
  H  H151  1  1.017568  0.282013  0.349085  1
  H  H152  1  0.684234  0.282013  0.349085  1
  H  H153  1  0.502052  0.754325  0.369665  1
  H  H154  1  0.350901  0.282013  0.349085  1
  H  H155  1  0.168719  0.754325  0.369665  1
  H  H156  1  0.835386  0.754325  0.369665  1
  H  H157  1  0.570329  0.111641  0.383758  1
  H  H158  1  0.236996  0.111641  0.383758  1
  H  H159  1  0.248907  0.625886  0.372557  1
  H  H160  1  0.903662  0.111641  0.383758  1
  H  H161  1  0.915574  0.625886  0.372557  1
  H  H162  1  0.582241  0.625886  0.372557  1
  H  H163  1  0.995535  0.497235  0.375451  1
  H  H164  1  0.662202  0.497235  0.375451  1
  H  H165  1  0.673744  0.010726  0.364176  1
  H  H166  1  0.328869  0.497235  0.375451  1
  H  H167  1  0.340411  0.010726  0.364176  1
  H  H168  1  1.007077  0.010726  0.364176  1
  H  H169  1  0.880711  0.326567  0.410499  1
  H  H170  1  0.547378  0.326567  0.410499  1
  H  H171  1  0.365195  0.798879  0.431079  1
  H  H172  1  0.214044  0.326567  0.410499  1
  H  H173  1  1.031862  0.798879  0.431079  1
  H  H174  1  0.698529  0.798879  0.431079  1
  H  H175  1  0.822941  0.240162  0.381213  1
  H  H176  1  0.489608  0.240162  0.381213  1
  H  H177  1  0.307223  0.712284  0.401840  1
  H  H178  1  1.156275  0.240162  0.381213  1
  H  H179  1  0.973890  0.712284  0.401840  1
  H  H180  1  0.640557  0.712284  0.401840  1
  H  H181  1  0.375686  0.070166  0.415988  1
  H  H182  1  1.042352  0.070166  0.415988  1
  H  H183  1  1.053895  0.583657  0.404713  1
  H  H184  1  0.709019  0.070166  0.415988  1
  H  H185  1  0.720561  0.583657  0.404713  1
  H  H186  1  0.387228  0.583657  0.404713  1
  H  H187  1  0.800522  0.455005  0.407607  1
  H  H188  1  0.467189  0.455005  0.407607  1
  H  H189  1  0.479101  0.969251  0.396406  1
  H  H190  1  1.133856  0.455005  0.407607  1
  H  H191  1  1.145767  0.969251  0.396406  1
  H  H192  1  0.812434  0.969251  0.396406  1
  H  H193  1  0.685961  0.284683  0.442743  1
  H  H194  1  0.352627  0.284683  0.442743  1
  H  H195  1  0.170594  0.756948  0.463141  1
  H  H196  1  1.019294  0.284683  0.442743  1
  H  H197  1  0.837261  0.756948  0.463141  1
  H  H198  1  0.503928  0.756948  0.463141  1
  H  H199  1  0.628297  0.198420  0.413423  1
  H  H200  1  0.294964  0.198420  0.413423  1
  H  H201  1  1.112328  0.670148  0.433969  1
  H  H202  1  0.961630  0.198420  0.413423  1
  H  H203  1  0.778995  0.670148  0.433969  1
  H  H204  1  0.445662  0.670148  0.433969  1
  H  H205  1  0.180941  0.028593  0.448230  1
  H  H206  1  0.847608  0.028593  0.448230  1
  H  H207  1  0.858840  0.541391  0.436864  1
  H  H208  1  0.514274  0.028593  0.448230  1
  H  H209  1  0.525507  0.541391  0.436864  1
  H  H210  1  0.192173  0.541391  0.436864  1
  H  H211  1  0.605527  0.412849  0.439802  1
  H  H212  1  0.272194  0.412849  0.439802  1
  H  H213  1  0.284705  0.927722  0.428562  1
  H  H214  1  0.938861  0.412849  0.439802  1
  H  H215  1  0.951372  0.927722  0.428562  1
  H  H216  1  0.618039  0.927722  0.428562  1
  H  H217  1  0.491421  0.243176  0.475080  1
  H  H218  1  1.158088  0.243176  0.475080  1
  H  H219  1  0.975868  0.714857  0.495148  1
  H  H220  1  0.824754  0.243176  0.475080  1
  H  H221  1  0.642535  0.714857  0.495148  1
  H  H222  1  0.309201  0.714857  0.495148  1
  H  H223  1  0.433778  0.156838  0.445716  1
  H  H224  1  1.100445  0.156838  0.445716  1
  H  H225  1  0.917282  0.627904  0.466075  1
  H  H226  1  0.767111  0.156838  0.445716  1
  H  H227  1  0.583949  0.627904  0.466075  1
  H  H228  1  0.250616  0.627904  0.466075  1
  H  H229  1  0.986309  -0.013156  0.480458  1
  H  H230  1  0.652976  -0.013156  0.480458  1
  H  H231  1  0.663738  0.499153  0.469051  1
  H  H232  1  0.319642  -0.013156  0.480458  1
  H  H233  1  0.330405  0.499153  0.469051  1
  H  H234  1  0.997072  0.499153  0.469051  1
  H  H235  1  0.410556  0.370872  0.472069  1
  H  H236  1  1.077222  0.370872  0.472069  1
  H  H237  1  1.090710  0.886172  0.460607  1
  H  H238  1  0.743889  0.370872  0.472069  1
  H  H239  1  0.757377  0.886172  0.460607  1
  H  H240  1  0.424043  0.886172  0.460607  1
  H  H241  1  0.296989  0.201647  0.507374  1
  H  H242  1  0.963656  0.201647  0.507374  1
  H  H243  1  0.780724  0.672693  0.527194  1
  H  H244  1  0.630322  0.201647  0.507374  1
  H  H245  1  0.447390  0.672693  0.527194  1
  H  H246  1  1.114057  0.672693  0.527194  1
  H  H247  1  0.239376  0.115170  0.478024  1
  H  H248  1  0.906043  0.115170  0.478024  1
  H  H249  1  0.722095  0.585623  0.498214  1
  H  H250  1  0.572710  0.115170  0.478024  1
  H  H251  1  0.388762  0.585623  0.498214  1
  H  H252  1  1.055428  0.585623  0.498214  1
  H  H253  1  0.792387  0.945000  0.512686  1
  H  H254  1  0.459053  0.945000  0.512686  1
  H  H255  1  0.468675  0.457037  0.501324  1
  H  H256  1  1.125720  0.945000  0.512686  1
  H  H257  1  1.135342  0.457037  0.501324  1
  H  H258  1  0.802009  0.457037  0.501324  1
  H  H259  1  0.215922  0.329595  0.504490  1
  H  H260  1  0.882589  0.329595  0.504490  1
  H  H261  1  0.897241  0.844754  0.492514  1
  H  H262  1  0.549255  0.329595  0.504490  1
  H  H263  1  0.563907  0.844754  0.492514  1
  H  H264  1  0.230574  0.844754  0.492514  1
  H  H265  1  1.102192  0.159931  0.539555  1
  H  H266  1  0.768859  0.159931  0.539555  1
  H  H267  1  0.584221  0.629297  0.559154  1
  H  H268  1  0.435526  0.159931  0.539555  1
  H  H269  1  0.250888  0.629297  0.559154  1
  H  H270  1  0.917554  0.629297  0.559154  1
  H  H271  1  1.045106  0.073159  0.510339  1
  H  H272  1  0.711772  0.073159  0.510339  1
  H  H273  1  0.526708  0.543221  0.530424  1
  H  H274  1  0.378439  0.073159  0.510339  1
  H  H275  1  0.193374  0.543221  0.530424  1
  H  H276  1  0.860041  0.543221  0.530424  1
  H  H277  1  0.598721  0.902753  0.544806  1
  H  H278  1  0.265388  0.902753  0.544806  1
  H  H279  1  0.274013  0.416301  0.533887  1
  H  H280  1  0.932054  0.902753  0.544806  1
  H  H281  1  0.940680  0.416301  0.533887  1
  H  H282  1  0.607347  0.416301  0.533887  1
  H  H283  1  1.021292  0.288381  0.536819  1
  H  H284  1  0.687959  0.288381  0.536819  1
  H  H285  1  0.703853  0.803440  0.524178  1
  H  H286  1  0.354626  0.288381  0.536819  1
  H  H287  1  0.370519  0.803440  0.524178  1
  H  H288  1  1.037186  0.803440  0.524178  1
  H  H289  1  0.908334  0.118317  0.571505  1
  H  H290  1  0.575001  0.118317  0.571505  1
  H  H291  1  0.390939  0.593288  0.592777  1
  H  H292  1  0.241668  0.118317  0.571505  1
  H  H293  1  1.057605  0.593288  0.592777  1
  H  H294  1  0.724272  0.593288  0.592777  1
  H  H295  1  0.850741  0.030853  0.542741  1
  H  H296  1  0.517408  0.030853  0.542741  1
  H  H297  1  0.331967  0.503198  0.563139  1
  H  H298  1  0.184075  0.030853  0.542741  1
  H  H299  1  0.998633  0.503198  0.563139  1
  H  H300  1  0.665300  0.503198  0.563139  1
  H  H301  1  0.407130  0.860698  0.577365  1
  H  H302  1  1.073797  0.860698  0.577365  1
  H  H303  1  1.079744  0.375014  0.566130  1
  H  H304  1  0.740463  0.860698  0.577365  1
  H  H305  1  0.746411  0.375014  0.566130  1
  H  H306  1  0.413077  0.375014  0.566130  1
  H  H307  1  0.826910  0.246354  0.568873  1
  H  H308  1  0.493577  0.246354  0.568873  1
  H  H309  1  0.510644  0.762968  0.555505  1
  H  H310  1  1.160244  0.246354  0.568873  1
  H  H311  1  0.177311  0.762968  0.555505  1
  H  H312  1  0.843977  0.762968  0.555505  1
  H  H313  1  0.709240  0.076164  0.604069  1
  H  H314  1  0.375907  0.076164  0.604069  1
  H  H315  1  0.281368  0.676278  0.620992  1
  H  H316  1  1.042574  0.076164  0.604069  1
  H  H317  1  0.948035  0.676278  0.620992  1
  H  H318  1  0.614701  0.676278  0.620992  1
  H  H319  1  0.658726  -0.012745  0.575401  1
  H  H320  1  0.325393  -0.012745  0.575401  1
  H  H321  1  1.135731  0.463870  0.595967  1
  H  H322  1  0.992060  -0.012745  0.575401  1
  H  H323  1  0.802398  0.463870  0.595967  1
  H  H324  1  0.469064  0.463870  0.595967  1
  H  H325  1  0.205920  0.807976  0.609311  1
  H  H326  1  0.872586  0.807976  0.609311  1
  H  H327  1  0.881962  0.333585  0.598667  1
  H  H328  1  0.539253  0.807976  0.609311  1
  H  H329  1  0.548629  0.333585  0.598667  1
  H  H330  1  0.215295  0.333585  0.598667  1
  H  H331  1  0.628655  0.204950  0.601443  1
  H  H332  1  0.295322  0.204950  0.601443  1
  H  H333  1  0.313896  0.719721  0.586023  1
  H  H334  1  0.961988  0.204950  0.601443  1
  H  H335  1  0.980563  0.719721  0.586023  1
  H  H336  1  0.647229  0.719721  0.586023  1
