# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15234885
_cell_length_b   24.01674712
_cell_length_c   33.82022963
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.83156741
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7345.87468886
_cell_formula_units_Z   180
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  0.449086  0.529494  0.501874  1
  H  H2  1  0.182655  0.208702  0.489494  1
  H  H3  1  0.230572  0.505850  0.544803  1
  H  H4  1  -0.014466  0.489480  0.563069  1
  H  H5  1  0.879340  0.879391  0.486693  1
  H  H6  1  0.923889  0.192142  0.502397  1
  H  H7  1  0.731540  0.174056  0.550034  1
  H  H8  1  0.639358  0.864856  0.515968  1
  H  H9  1  0.413183  0.843878  0.548587  1
  H  H10  1  0.382073  0.614366  0.516549  1
  H  H11  1  0.044213  0.283187  0.485942  1
  H  H12  1  0.151807  0.592474  0.545478  1
  H  H13  1  0.618443  0.625622  0.485903  1
  H  H14  1  0.749931  -0.043832  0.487066  1
  H  H15  1  0.846142  0.266596  0.534472  1
  H  H16  1  0.302213  0.299004  0.472508  1
  H  H17  1  0.505019  0.936009  0.522371  1
  H  H18  1  -0.005957  -0.034460  0.458029  1
  H  H19  1  0.484299  0.704125  0.488238  1
  H  H20  1  0.167032  0.377272  0.470920  1
  H  H21  1  0.246501  0.687632  0.518500  1
  H  H22  1  0.016521  0.668211  0.549199  1
  H  H23  1  0.906126  0.055583  0.461725  1
  H  H24  1  0.957602  0.359950  0.516184  1
  H  H25  1  0.705816  0.340673  0.531441  1
  H  H26  1  0.654759  0.039202  0.481765  1
  H  H27  1  0.453367  0.024586  0.523066  1
  H  H28  1  0.444739  0.797369  0.487419  1
  H  H29  1  0.072383  0.451762  0.500985  1
  H  H30  1  0.222547  0.781288  0.518866  1
  H  H31  1  0.680045  0.814394  0.458936  1
  H  H32  1  0.760725  0.131257  0.459848  1
  H  H33  1  0.821224  0.437357  0.514596  1
  H  H34  1  0.206196  0.544865  0.484497  1
  H  H35  1  0.566432  0.117576  0.506809  1
  H  H36  1  0.015869  0.151820  0.445857  1
  H  H37  1  0.491369  0.492486  0.562797  1
  H  H38  1  0.231043  0.174066  0.550046  1
  H  H39  1  0.956946  0.532489  0.505905  1
  H  H40  1  0.740348  0.510285  0.546712  1
  H  H41  1  0.847903  0.834414  0.550168  1
  H  H42  1  0.683058  0.209300  0.489471  1
  H  H43  1  0.424778  0.192359  0.502483  1
  H  H44  1  0.321772  0.874095  0.489610  1
  H  H45  1  0.081761  0.852825  0.522602  1
  H  H46  1  0.602372  0.584086  0.547320  1
  H  H47  1  0.345904  0.266319  0.534541  1
  H  H48  1  0.063791  0.623207  0.486915  1
  H  H49  1  0.833127  0.605890  0.519513  1
  H  H50  1  0.050865  0.942662  0.520251  1
  H  H51  1  0.802739  0.299467  0.472455  1
  H  H52  1  0.544806  0.283281  0.485793  1
  H  H53  1  0.501935  -0.041070  0.458485  1
  H  H54  1  0.269965  -0.036552  0.486379  1
  H  H55  1  0.576702  0.677036  0.547540  1
  H  H56  1  0.204951  0.340614  0.531401  1
  H  H57  1  0.040258  0.718173  0.486972  1
  H  H58  1  0.800828  0.697020  0.515378  1
  H  H59  1  0.938070  0.020762  0.522889  1
  H  H60  1  0.667761  0.377937  0.471169  1
  H  H61  1  0.457560  0.358547  0.516577  1
  H  H62  1  0.407062  0.055015  0.461629  1
  H  H63  1  0.151787  0.040298  0.484797  1
  H  H64  1  0.657407  0.769697  0.521241  1
  H  H65  1  0.322078  0.435282  0.514342  1
  H  H66  1  0.114431  0.816951  0.461970  1
  H  H67  1  0.885421  0.785990  0.491396  1
  H  H68  1  0.062181  0.117290  0.507103  1
  H  H69  1  0.705145  0.534045  0.482662  1
  H  H70  1  0.571233  0.450377  0.503001  1
  H  H71  1  0.515149  0.152108  0.446027  1
  H  H72  1  0.259744  0.130297  0.460300  1
  H  H73  1  0.778281  0.468453  0.604087  1
  H  H74  1  0.478959  0.157662  0.563432  1
  H  H75  1  0.533248  0.453471  0.621165  1
  H  H76  1  0.325964  0.432702  0.662808  1
  H  H77  1  0.186812  0.826264  0.578892  1
  H  H78  1  0.279935  0.139114  0.609978  1
  H  H79  1  0.028456  0.121698  0.623235  1
  H  H80  1  0.957543  0.807142  0.607230  1
  H  H81  1  0.730884  0.788797  0.636827  1
  H  H82  1  0.695526  0.555069  0.604718  1
  H  H83  1  0.394455  0.230488  0.594015  1
  H  H84  1  0.471273  0.538008  0.635232  1
  H  H85  1  0.927540  0.575395  0.576433  1
  H  H86  1  0.040913  0.898590  0.581332  1
  H  H87  1  0.141343  0.213591  0.606926  1
  H  H88  1  0.591859  0.248662  0.546945  1
  H  H89  1  0.813579  0.879964  0.610293  1
  H  H90  1  0.274479  0.918342  0.550229  1
  H  H91  1  0.786052  0.648873  0.578853  1
  H  H92  1  0.508035  0.322727  0.577418  1
  H  H93  1  0.559720  0.630359  0.608794  1
  H  H94  1  0.329747  0.611435  0.638100  1
  H  H95  1  0.218460  0.007401  0.546737  1
  H  H96  1  0.255346  0.305478  0.590993  1
  H  H97  1  0.056476  0.286553  0.637295  1
  H  H98  1  0.005277  -0.009821  0.582608  1
  H  H99  1  0.770458  -0.029528  0.606915  1
  H  H100  1  0.768364  0.742414  0.576969  1
  H  H101  1  0.370123  0.398314  0.574736  1
  H  H102  1  0.540706  0.724042  0.606791  1
  H  H103  1  -0.005255  0.761447  0.548346  1
  H  H104  1  0.115199  0.082384  0.565336  1
  H  H105  1  0.168640  0.378195  0.620967  1
  H  H106  1  0.621444  0.414436  0.561876  1
  H  H107  1  0.866358  0.064117  0.580997  1
  H  H108  1  0.318172  0.099554  0.521539  1
  H  H109  1  0.834124  0.436260  0.664191  1
  H  H110  1  0.529423  0.121898  0.623881  1
  H  H111  1  0.286635  0.472828  0.604426  1
  H  H112  1  0.040048  0.455479  0.622427  1
  H  H113  1  0.165179  0.777739  0.639811  1
  H  H114  1  -0.023032  0.157294  0.563290  1
  H  H115  1  0.780162  0.138233  0.609898  1
  H  H116  1  0.620972  0.814875  0.580053  1
  H  H117  1  0.393326  0.796410  0.610018  1
  H  H118  1  0.926116  0.531607  0.637858  1
  H  H119  1  0.642029  0.213407  0.607062  1
  H  H120  1  0.378878  0.569294  0.578125  1
  H  H121  1  0.147203  0.547423  0.605543  1
  H  H122  1  0.374417  0.890615  0.608304  1
  H  H123  1  0.091471  0.248428  0.546846  1
  H  H124  1  0.894078  0.230415  0.593950  1
  H  H125  1  0.825532  0.927186  0.548216  1
  H  H126  1  0.599522  0.906838  0.578644  1
  H  H127  1  0.893052  0.622700  0.635657  1
  H  H128  1  0.556305  0.286148  0.637470  1
  H  H129  1  0.347102  0.660232  0.576669  1
  H  H130  1  0.121170  0.640525  0.606118  1
  H  H131  1  0.235764  -0.035774  0.608821  1
  H  H132  1  0.007539  0.322523  0.577138  1
  H  H133  1  0.754882  0.305418  0.591233  1
  H  H134  1  0.694170  0.002148  0.545937  1
  H  H135  1  0.475301  -0.015889  0.582861  1
  H  H136  1  -0.024678  0.713274  0.609335  1
  H  H137  1  0.669783  0.378378  0.621896  1
  H  H138  1  0.431221  0.750211  0.550046  1
  H  H139  1  0.202886  0.732292  0.579641  1
  H  H140  1  0.370938  0.066260  0.582462  1
  H  H141  1  0.122015  0.414896  0.561857  1
  H  H142  1  0.870842  0.397211  0.574672  1
  H  H143  1  0.813522  0.098199  0.521249  1
  H  H144  1  0.615616  0.081960  0.565869  1
  H  H145  1  0.081286  0.416796  0.680652  1
  H  H146  1  0.828581  0.103186  0.669973  1
  H  H147  1  0.875860  0.396646  0.722707  1
  H  H148  1  0.629761  0.380877  0.739822  1
  H  H149  1  0.503640  0.769799  0.666614  1
  H  H150  1  0.577919  0.085475  0.683349  1
  H  H151  1  0.376958  0.066700  0.729887  1
  H  H152  1  0.276339  0.751677  0.696340  1
  H  H153  1  0.048669  0.732730  0.725820  1
  H  H154  1  0.016847  0.500663  0.695591  1
  H  H155  1  0.690903  0.177677  0.667327  1
  H  H156  1  0.782621  0.480887  0.722646  1
  H  H157  1  0.239128  0.518082  0.663264  1
  H  H158  1  0.357922  0.842206  0.670019  1
  H  H159  1  0.492473  0.158359  0.713851  1
  H  H160  1  0.943303  0.194526  0.653732  1
  H  H161  1  0.129267  0.824393  0.699573  1
  H  H162  1  0.584334  0.861180  0.640319  1
  H  H163  1  0.104724  0.593451  0.668066  1
  H  H164  1  0.804450  0.269411  0.650984  1
  H  H165  1  0.875920  0.574338  0.697516  1
  H  H166  1  0.650719  0.556514  0.726933  1
  H  H167  1  0.554949  -0.046428  0.641590  1
  H  H168  1  0.605597  0.250400  0.697644  1
  H  H169  1  0.353074  0.233249  0.710845  1
  H  H170  1  0.322216  0.932932  0.667685  1
  H  H171  1  0.102280  0.917224  0.700255  1
  H  H172  1  0.085719  0.686919  0.665950  1
  H  H173  1  0.717339  0.341986  0.681173  1
  H  H174  1  0.858598  0.668334  0.695604  1
  H  H175  1  0.313092  0.705563  0.636417  1
  H  H176  1  0.414970  0.027599  0.641331  1
  H  H177  1  0.466599  0.325587  0.694998  1
  H  H178  1  0.918220  0.361997  0.634965  1
  H  H179  1  0.209906  0.008742  0.683424  1
  H  H180  1  0.662683  0.045624  0.624255  1
  H  H181  1  0.133529  0.382128  0.740519  1
  H  H182  1  0.877991  0.065755  0.729809  1
  H  H183  1  0.586306  0.419010  0.681350  1
  H  H184  1  0.381241  0.400154  0.723443  1
  H  H185  1  0.483120  0.722189  0.728357  1
  H  H186  1  0.329612  0.102165  0.669776  1
  H  H187  1  0.078872  0.085766  0.683601  1
  H  H188  1  0.937613  0.759418  0.669170  1
  H  H189  1  0.710493  0.740833  0.698824  1
  H  H190  1  0.241262  0.474181  0.723184  1
  H  H191  1  -0.008239  0.158341  0.713790  1
  H  H192  1  0.693931  0.510528  0.664519  1
  H  H193  1  0.473995  0.494820  0.697089  1
  H  H194  1  0.691487  0.834302  0.696708  1
  H  H195  1  0.443137  0.194504  0.653929  1
  H  H196  1  0.190614  0.177352  0.667130  1
  H  H197  1  0.145492  0.871238  0.637841  1
  H  H198  1  0.920291  0.853414  0.667258  1
  H  H199  1  0.211877  0.566573  0.724455  1
  H  H200  1  0.852908  0.233226  0.711042  1
  H  H201  1  0.666944  0.603359  0.665201  1
  H  H202  1  0.438289  0.585546  0.694755  1
  H  H203  1  0.557083  0.909671  0.701510  1
  H  H204  1  0.303738  0.269393  0.650923  1
  H  H205  1  0.105308  0.250075  0.697447  1
  H  H206  1  0.013590  -0.053135  0.642128  1
  H  H207  1  0.779364  0.927089  0.669183  1
  H  H208  1  0.292571  0.657954  0.698160  1
  H  H209  1  -0.032370  0.324567  0.694801  1
  H  H210  1  0.747542  0.695023  0.638954  1
  H  H211  1  0.519873  0.676076  0.668434  1
  H  H212  1  0.714925  0.010956  0.684123  1
  H  H213  1  0.419253  0.361052  0.634888  1
  H  H214  1  0.218292  0.342278  0.681425  1
  H  H215  1  0.166450  0.046875  0.624952  1
  H  H216  1  0.920351  0.031106  0.642067  1
  H  H217  1  0.425273  0.361492  0.782313  1
  H  H218  1  0.126429  0.049374  0.742878  1
  H  H219  1  0.180595  0.345792  0.798905  1
  H  H220  1  -0.017310  0.329553  0.843525  1
  H  H221  1  0.820889  0.714478  0.755439  1
  H  H222  1  0.925369  0.030541  0.790102  1
  H  H223  1  0.674196  0.012856  0.802917  1
  H  H224  1  0.593325  0.695460  0.785133  1
  H  H225  1  0.364991  0.677541  0.814729  1
  H  H226  1  0.320911  0.443641  0.781913  1
  H  H227  1  0.041329  0.122334  0.773541  1
  H  H228  1  0.102041  0.425604  0.818837  1
  H  H229  1  0.560447  0.463527  0.755953  1
  H  H230  1  0.675041  0.787227  0.758656  1
  H  H231  1  0.788672  0.105229  0.787636  1
  H  H232  1  0.239906  0.141604  0.727304  1
  H  H233  1  0.449109  0.767521  0.788105  1
  H  H234  1  0.903159  0.805053  0.729117  1
  H  H235  1  0.421795  0.537137  0.756470  1
  H  H236  1  0.154182  0.214346  0.757712  1
  H  H237  1  0.196689  0.520915  0.786130  1
  H  H238  1  -0.029321  0.500567  0.816558  1
  H  H239  1  0.870095  0.896146  0.726916  1
  H  H240  1  0.902134  0.197338  0.770824  1
  H  H241  1  0.704740  0.179324  0.817929  1
  H  H242  1  0.649008  0.880329  0.759231  1
  H  H243  1  0.417333  0.858459  0.786649  1
  H  H244  1  0.402885  0.631342  0.754756  1
  H  H245  1  0.016049  0.289520  0.754876  1
  H  H246  1  0.175240  0.612877  0.784721  1
  H  H247  1  0.631033  0.650013  0.724963  1
  H  H248  1  0.756163  -0.027727  0.742347  1
  H  H249  1  0.819244  0.270458  0.801484  1
  H  H250  1  0.266788  0.305855  0.740893  1
  H  H251  1  0.509576  -0.045076  0.760348  1
  H  H252  1  0.962087  -0.008508  0.700583  1
  H  H253  1  0.478039  0.328198  0.843236  1
  H  H254  1  0.174767  0.013316  0.802899  1
  H  H255  1  0.929853  0.363635  0.783777  1
  H  H256  1  0.681012  0.345368  0.799438  1
  H  H257  1  0.801467  0.666306  0.816428  1
  H  H258  1  0.627571  0.049558  0.743807  1
  H  H259  1  0.426088  0.029438  0.790038  1
  H  H260  1  0.255506  0.703711  0.757983  1
  H  H261  1  0.027847  0.685338  0.787805  1
  H  H262  1  0.577752  0.420352  0.818038  1
  H  H263  1  0.288176  0.105025  0.787356  1
  H  H264  1  0.025753  0.457281  0.757859  1
  H  H265  1  0.790935  0.437573  0.782166  1
  H  H266  1  0.010160  0.778879  0.785921  1
  H  H267  1  0.739735  0.141199  0.727479  1
  H  H268  1  0.540865  0.122275  0.773781  1
  H  H269  1  0.466464  0.816317  0.726674  1
  H  H270  1  0.236491  0.797394  0.755980  1
  H  H271  1  0.521732  0.509411  0.814545  1
  H  H272  1  0.204352  0.179090  0.817829  1
  H  H273  1  -0.017368  0.547788  0.754481  1
  H  H274  1  0.755299  0.529163  0.783443  1
  H  H275  1  0.868671  0.852357  0.788342  1
  H  H276  1  0.654868  0.214161  0.757848  1
  H  H277  1  0.401756  0.197265  0.770759  1
  H  H278  1  0.324939  0.889745  0.729542  1
  H  H279  1  0.100685  0.872683  0.760056  1
  H  H280  1  0.609400  0.601489  0.785882  1
  H  H281  1  0.317252  0.270090  0.801342  1
  H  H282  1  0.065327  0.638955  0.727947  1
  H  H283  1  0.838668  0.620611  0.757544  1
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